November 2022 - Page 26 of 81 - Indole Building Blocks

Damgaard, Maria et al. published their research in ACS Chemical Neuroscience in 2015 | CAS: 15540-90-6

4,7-Dimethylindoline-2,3-dione (cas: 15540-90-6) belongs to indole derivatives. Indole exists overwhelmingly in the 1H-indole form as do other simple indoles. It is used in perfumery and in making tryptophan, an essential amino acid, and indoleacetic acid (heteroauxin), a hormone that promotes the development of roots in plant cuttings.Electric Literature of C10H9NO2

Identification of the First Highly Subtype-Selective Inhibitor of Human GABA Transporter GAT3 was written by Damgaard, Maria;Al-Khawaja, Anas;Vogensen, Stine B.;Jurik, Andreas;Sijm, Maarten;Lie, Maria E. K.;Baek, Mathias I.;Rosenthal, Emil;Jensen, Anders A.;Ecker, Gerhard F.;Froelund, Bente;Wellendorph, Petrine;Clausen, Rasmus P.. And the article was included in ACS Chemical Neuroscience in 2015.Electric Literature of C10H9NO2 The following contents are mentioned in the article:

Screening a library of small-mol. compounds using a cell line expressing human GABA transporter 3 (hGAT3) in a [³H]GABA uptake assay identified isatin derivatives as a new class of hGAT3 inhibitors. A subsequent structure-activity relationship (SAR) study led to the identification of hGAT3-selective inhibitors (i.e., compounds 20 and 34) that were superior to the reference hGAT3 inhibitor, (S)-SNAP-5114, in terms of potency (low micromolar IC₅₀ values) and selectivity (>30-fold selective for hGAT3 over hGAT1/hGAT2/hBGT1). Further pharmacol. characterization of compound 20 (5-(thiophen-2-yl)indoline-2,3-dione) revealed a noncompetitive mode of inhibition at hGAT3. This suggests that this compound class, which has no structural resemblance to GABA, has a binding site different from the substrate, GABA. This was supported by a mol. modeling study that suggested a unique binding site that matched the observed selectivity, inhibition kinetics, and SAR of the compound series. These compounds are the most potent GAT3 inhibitors reported to date that provide selectivity for GAT3 over other GABA transporter subtypes. This study involved multiple reactions and reactants, such as 4,7-Dimethylindoline-2,3-dione (cas: 15540-90-6Electric Literature of C10H9NO2).

Referemce:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Nicolaou, K. C. et al. published their research in Journal of the American Chemical Society in 2009 | CAS: 1132910-79-2

tert-Butyl (2-(5-(trifluoromethyl)-1H-indol-3-yl)ethyl)carbamate (cas: 1132910-79-2) belongs to indole derivatives. Indole produced by Proteus, Pseudomonas, Escherichia and other species was shown to be a growth promoting factor in Arabidopsis thaliana.Indole was synthesized in moderate yield via an o-naphthoquinone catalyzed tandem cross-coupling of substituted aniline and benzylamine under aerobic oxidation conditions.Category: indole-building-block

New Synthetic Technologies for the Construction of Heterocycles and Tryptamines was written by Nicolaou, K. C.;Krasovskiy, Arkady;Majumder, Utpal;Trepanier, Vincent E.;Chen, David Y.-K.. And the article was included in Journal of the American Chemical Society in 2009.Category: indole-building-block The following contents are mentioned in the article:

New synthetic methods for the construction of novel heterocycles and tryptamines are described. Thus, N-Boc anilines are sequentially converted to (3-(2-aminophenyl)pyrrolidin-3-ol) derivatives, substituted 2-oxo-1,2-dihydrospirobenzo[d][1,3]oxazine-4,3′-pyrrolidines, and 2-(4,5-dihydro-1H-pyrrol-3-yl)aniline derivatives through a route involving t-BuLi induced ortho-metalation/LaCl₃·2LiCl metal exchange, reaction with N-Boc pyrrolidin-3-one, and subsequent decarboxylative fragmentation. Labile intermediates 2-(4,5-dihydro-1H-pyrrol-3-yl)anilines are effectively converted to tryptamines under controlled protic acid conditions. In addition to providing expedient access to the 2-oxo-1,2-dihydrospirobenzo[d][1,3]oxazine-4,3′-pyrrolidines, the method is applicable to the synthesis of the corresponding 2-oxo-1,2-dihydrospirobenzo[d][1,3]oxazine-4,3′-piperidine series of spirocycles and their precursors 3-(2-aminophenyl)piperidin-3-ol derivatives by using N-Boc-protected piperidin-3-one. Applications of the developed synthetic technologies to the synthesis of regioisomeric spirocycles, tryptamines, Corey’s aspidophytine tryptamine, and efavirenz are also described. This study involved multiple reactions and reactants, such as tert-Butyl (2-(5-(trifluoromethyl)-1H-indol-3-yl)ethyl)carbamate (cas: 1132910-79-2Category: indole-building-block).

Inoue, Satoru et al. published their research in Pesticide Science in 1985 | CAS: 100831-25-2

7-Bromo-1-methylindolin-2-one (cas: 100831-25-2) belongs to indole derivatives. Indole, also called Benzopyrrole, a heterocyclic organic compound occurring in some flower oils, such as jasmine and orange blossom, in coal tar, and in fecal matter. Due to this activity, the indole ring system has become an important component or intermediate in the synthesis of heterocycles.Synthetic Route of C9H8BrNO

New melanin biosynthesis inhibitors and their structural similarities was written by Inoue, Satoru;Uematsu, Tamon;Kato, Toshiro;Ueda, Kenzo. And the article was included in Pesticide Science in 1985.Synthetic Route of C9H8BrNO The following contents are mentioned in the article:

Relationships between their activities as rice blast (Pyricularia oryzae) control agents and their abilities to inhibit mycelial melanization on a nutrient agar were described for 103 substituted benzothiazol-2(3H)-ones, benzoxazol-2(3H)-ones, indolin-2-ones, quinolin-2(1H)-ones, 1,2,3,4-tetrahydroquinolin-2-ones, benzo-1,4-thiazin-3(2H)-ones and benz-1,4-oxazin-3(2H)-ones, and some corresponding thiones. Several compounds had a high protective activity and an antimelanization activity against P. oryzae. There was good correlation between these activities. Structural similarities of the compounds were identified as: (1) having a benzo-bicyclic ring system; (b) containing a N atom in one ring at a position alpha to the benzene ring system; and (c) substitution, at the ring N atom, at the peri position in the aromatic ring relative to the N atom, and at the position alpha to the N atom in the ring system, with a double bond, such as in carbonyl and thiocarbonyl groups. The findings are discussed in relation to the structures of previously identified melanin biosynthesis inhibitors. This study involved multiple reactions and reactants, such as 7-Bromo-1-methylindolin-2-one (cas: 100831-25-2Synthetic Route of C9H8BrNO).

Hyatt, Janice L. et al. published their research in Journal of Medicinal Chemistry in 2007 | CAS: 15540-90-6

4,7-Dimethylindoline-2,3-dione (cas: 15540-90-6) belongs to indole derivatives. Indole produced by Proteus, Pseudomonas, Escherichia and other species was shown to be a growth promoting factor in Arabidopsis thaliana. In addition to indole, the strain-release chemistry worked for numerous substrates including amines, alcohols, thiols, carboxylic acids, imidazoles, and pyrazoles.Formula: C10H9NO2

Selective Inhibition of Carboxylesterases by Isatins, Indole-2,3-diones was written by Hyatt, Janice L.;Moak, Teri;Hatfield, M. Jason;Tsurkan, Lyudmila;Edwards, Carol C.;Wierdl, Monika;Danks, Mary K.;Wadkins, Randy M.;Potter, Philip M.. And the article was included in Journal of Medicinal Chemistry in 2007.Formula: C10H9NO2 The following contents are mentioned in the article:

Carboxylesterases (CE) are ubiquitous enzymes thought to be responsible for the metabolism and detoxification of xenobiotics. Numerous clin. used drugs including Demerol, lidocaine, capecitabine, and CPT-11 are hydrolyzed by these enzymes. Hence, the identification and application of selective CE inhibitors may prove useful in modulating the metabolism of esterified drugs in vivo. Having recently identified benzil (diphenylethane-1,2-dione) as a potent selective inhibitor of CEs, we sought to evaluate the inhibitory activity of related 1,2-diones toward these enzymes. Biochem. assays and kinetic studies demonstrated that isatins (indole-2,3-diones), containing hydrophobic groups attached at a variety of positions within these mols., could act as potent, specific CE inhibitors. Interestingly, the inhibitory potency of the isatin compounds was related to their hydrophobicity, such that compounds with clogP values of <1.25 were ineffective at enzyme inhibition. Conversely, analogs demonstrating clogP values >5 routinely yielded K_i values in the nM range. Furthermore, excellent 3D QSAR correlates were obtained for 2 human CEs, hCE1 and hiCE. While the isatin analogs were generally less effective at CE inhibition than the benzils, the former may represent valid lead compounds for the development of inhibitors for use in modulating drug metabolism in vivo. This study involved multiple reactions and reactants, such as 4,7-Dimethylindoline-2,3-dione (cas: 15540-90-6Formula: C10H9NO2).

Zhang, Ji-Quan et al. published their research in Catalysis Communications in 2020 | CAS: 100831-25-2

7-Bromo-1-methylindolin-2-one (cas: 100831-25-2) belongs to indole derivatives. Indole is an important structural motif of various drugs, therapeutic leads besides its prevalence in numerous natural products, agrochemicals, perfumery, and dyes. More than 200 indole derivatives have already been marketed as drugs or are under advanced stages of clinical trials.Safety of 7-Bromo-1-methylindolin-2-one

The synthesis of symmetrical 3,3-Disubstituted oxindoles by phosphine-catalyzed γ/γ-addition of oxindoles with allenoates was written by Zhang, Ji-Quan;Li, Shu-Min;Wu, Chun-Feng;Wang, Xing-Lan;Wu, Ting-Ting;Du, Yao;Yang, Yuan-Yong;Fan, Ling-Ling;Dong, Yong-Xi;Wang, Jian-Ta;Tang, Lei. And the article was included in Catalysis Communications in 2020.Safety of 7-Bromo-1-methylindolin-2-one The following contents are mentioned in the article:

A phosphine-catalyzed γ/γ-addition of oxindoles I (R¹ = H, 5,7-F₂, 6-OMe, 5-Cl, etc.; R² = Me, Boc, Bn, Ph; R³ = H, R⁴ = H, Ph) and II (R² = acetyl, Boc; R³ = H) with allenoates as Et buta-2,3-dienoate, Me buta-2,3-dienoate, benzyl buta-2,3-dienoate has been developed that enables the efficient synthesis of highly functionalized sym. 3,3-disubstituted oxindoles I (R³ = (2E)-4-ethoxy-4-oxobut-2-en-1-yl, (2E)-4-methoxy-4-oxobut-2-en-1-yl, (2E)-4-benzyloxy-4-oxobut-2-en-1-yl; R⁴ = (2E)-4-ethoxy-4-oxobut-2-en-1-yl, (2E)-4-methoxy-4-oxobut-2-en-1-yl, (2E)-4-benzyloxy-4-oxobut-2-en-1-yl, Ph), II (R³ = (2E)-4-ethoxy-4-oxobut-2-en-1-yl). This protocol features mild reaction conditions and wide functional group tolerance and affords corresponding addition products in good to excellent yields. Besides, have also been investigated the biol. utility of the typical 3,3-disubstituted oxindoles against nine phytopathogenic fungi, and I (R¹ = H, R² = Me, R³ = R⁴ = (2E)-4-ethoxy-4-oxobut-2-en-1-yl; R¹ = 5-Br, R² = Me, R³ = R⁴ = (2E)-4-ethoxy-4-oxobut-2-en-1-yl) and exhibited promising antifungal activities. This study involved multiple reactions and reactants, such as 7-Bromo-1-methylindolin-2-one (cas: 100831-25-2Safety of 7-Bromo-1-methylindolin-2-one).

Guise, G. Bruce et al. published their research in Journal of the Chemical Society in 1982 | CAS: 15540-90-6

4,7-Dimethylindoline-2,3-dione (cas: 15540-90-6) belongs to indole derivatives. Indole produced by Proteus, Pseudomonas, Escherichia and other species was shown to be a growth promoting factor in Arabidopsis thaliana. Indole plays a fundamental role for QS in E. coli, being one of the signal molecules responsible for the transcription of a variety of genes (gabT, and tnaB ASTD). Application of 15540-90-6

Conformational behavior of medium-sized rings. Part 10. Dithiosalicylides and trithiosalicylides was written by Guise, G. Bruce;Ollis, W. David;Peacock, Judith A.;Stephanatou, Julia Stephanidou;Stoddart, J. Fraser. And the article was included in Journal of the Chemical Society in 1982.Application of 15540-90-6 The following contents are mentioned in the article:

The trithiosalicylides I [R = Me, R¹-R³ = H (II); R = R² = R³ = H, R¹ = Me; R = R¹ = R³ = H, R² = Me (III); R-R² = H, R³ = Me] were prepared and shown to exist in solution as ring inverting enantiomeric helical conformations with trans thio ester linkages. The free energies of activation for these conformational changes are ∼10 kcal/mol higher than for the same process in analogous trisalicylides. The crystal structures and solid state conformations of II and III were determined by x-ray anal. The dithiosalicylides IV [R = Me, R¹-R³ = H; R = R¹ = R³ = H, R² = Me; R = H, Me, CHMe₂ (V), R¹ = R² = H, R³ = Me] were also prepared and their conformations studied. The temp dependent ¹H NMR spectrum of V is interpreted in terms of ring inversion between enantiomeric boat conformations. The ΔG^⧧ value of 24.6 kcal/mol for this conformation change, as compared with that of 17-7 kcal/mol for di-o-thymotide, suggests that cis thio ester linkages are subject to more resonance stabilization than cis ester linkages. This study involved multiple reactions and reactants, such as 4,7-Dimethylindoline-2,3-dione (cas: 15540-90-6Application of 15540-90-6).

4,7-Dimethylindoline-2,3-dione (cas: 15540-90-6) belongs to indole derivatives. Indole produced by Proteus, Pseudomonas, Escherichia and other species was shown to be a growth promoting factor in Arabidopsis thaliana. Indole plays a fundamental role for QS in E. coli, being one of the signal molecules responsible for the transcription of a variety of genes (gabT, and tnaB ASTD). Application of 15540-90-6

Marx, Lucien et al. published their research in Angewandte Chemie, International Edition in 2000 | CAS: 82104-06-1

2-Benzyl-5-bromoisoindoline-1,3-dione (cas: 82104-06-1) belongs to indole derivatives. Indole produced by Proteus, Pseudomonas, Escherichia and other species was shown to be a growth promoting factor in Arabidopsis thaliana. It is used in perfumery and in making tryptophan, an essential amino acid, and indoleacetic acid (heteroauxin), a hormone that promotes the development of roots in plant cuttings.Safety of 2-Benzyl-5-bromoisoindoline-1,3-dione

Application of a spin-labeled spin-trap to the detection of nitric oxide (NO) was written by Marx, Lucien;Rassat, Andre. And the article was included in Angewandte Chemie, International Edition in 2000.Safety of 2-Benzyl-5-bromoisoindoline-1,3-dione The following contents are mentioned in the article:

We suggest a new use of diradicals as spin-labeled spin-traps. These reagents would combine a stable radical (R_T), designed to trap selectively the radical to be detected and to yield diamagnetic products, and another radical (R_L), unreactive during this reaction, at a distance such that the diradical EPR spectrum would be a single line. In this way, as R_T reacts, the signal of the R_T moiety would be detected at the very beginning of the reaction, with both the concentration of spin trap and of spin adduct being monitored on the same spectrum. Furthermore, the rate of the trapping reaction (usually bimol.) could easily be increased by increasing the biradical concentration As an example of this method, we have studied the trapping of NO by a new diradical that was designed to combine two aminoxy groups on an isoindoline backbone. The diradical was prepared in six steps from phthalic anhydride. When nitric oxide was bubbled into a deoxygenated solution of the synthesized aminoxy-isoindoline derivative in ethanol, samples were taken after 10,30, 60, and 90 min and analyzed by thin layer chromatog. and EPR; a three-line spectrum, not apparent in the spectrum of the sample taken after 10 min, appeared superimposed on the diradical spectrum of the sample taken after 30 min. Four new nitroxides were then detected : they all displayed the same typical isoindolidinyloxyl(radical) 3-line EPR spectrum (toluene, a_N = 1.37 mT). This study involved multiple reactions and reactants, such as 2-Benzyl-5-bromoisoindoline-1,3-dione (cas: 82104-06-1Safety of 2-Benzyl-5-bromoisoindoline-1,3-dione).

Patel, Dushyant V. et al. published their research in ACS Chemical Neuroscience in 2020 | CAS: 15540-90-6

4,7-Dimethylindoline-2,3-dione (cas: 15540-90-6) belongs to indole derivatives. Indole exists overwhelmingly in the 1H-indole form as do other simple indoles. In addition to indole, the strain-release chemistry worked for numerous substrates including amines, alcohols, thiols, carboxylic acids, imidazoles, and pyrazoles.Computed Properties of C10H9NO2

Further Studies on Triazinoindoles as Potential Novel Multitarget-Directed Anti-Alzheimer’s Agents was written by Patel, Dushyant V.;Patel, Nirav R.;Kanhed, Ashish M.;Teli, Divya M.;Patel, Kishan B.;Gandhi, Pallav M.;Patel, Sagar P.;Chaudhary, Bharat N.;Shah, Dharti B.;Prajapati, Navnit K.;Patel, Kirti V.;Yadav, Mange Ram. And the article was included in ACS Chemical Neuroscience in 2020.Computed Properties of C10H9NO2 The following contents are mentioned in the article:

The inadequate clin. efficacy of the present anti-Alzheimer’s disease (AD) drugs and their low impact on the progression of Alzheimer’s disease in patients have revised the research focus from single targets to multitarget-directed ligands. A novel series of substituted triazinoindole derivatives were obtained by introducing various substituents on the indole ring for the development of multitarget-directed ligands as anti-AD agents. The exptl. data indicated that some of these compounds exhibited significant anti-AD properties. Among them, 8-(piperidin-1-yl)-N-(6-(pyrrolidin-1-yl)hexyl)-5H-[1,2,4]triazino[5,6-b]indol-3-amine (60), the most potent cholinesterase inhibitor (AChE, IC₅₀ value of 0.32μM; BuChE, IC₅₀ value of 0.21μM), was also found to possess significant self-mediated Aβ_1-42 aggregation inhibitory activity (54% at 25μM concentration). Addnl., compound 60 showed strong antioxidant activity. In the PAMPA assay, compound 60 exhibited blood-brain barrier penetrating ability. An acute toxicity study in rats demonstrated no sign of toxicity at doses up to 2000 mg/kg. Furthermore, compound 60 significantly restored the cognitive deficits in the scopolamine-induced mice model and Aβ_1-42-induced rat model. In the in silico ADMET prediction studies, the compound satisfied all the parameters of CNS acting drugs. These results highlighted the potential of compound 60 to be a promising multitarget-directed ligand for the development of potential anti-AD drugs. This study involved multiple reactions and reactants, such as 4,7-Dimethylindoline-2,3-dione (cas: 15540-90-6Computed Properties of C10H9NO2).

Makane, Vitthal B. et al. published their research in Archiv der Pharmazie (Weinheim, Germany) in 2020 | CAS: 15540-90-6

4,7-Dimethylindoline-2,3-dione (cas: 15540-90-6) belongs to indole derivatives. Indole, first isolated in 1866, and it is commonly synthesized from phenylhydrazine and pyruvic acid, although several other procedures have been discovered. They are capable of binding to a variety of receptors with high affinity and thus have applications in a wide range of therapeutic areas.Synthetic Route of C10H9NO2

Synthesis of novel 4,5-dihydropyrrolo[1,2-a]quinoxalines, spiro[dihydroindolone-pyrrolo[1,2-a]quinoxaline] derivatives and their antituberculosis and anticancer activity was written by Makane, Vitthal B.;Vamshi Krishna, Eruva;Karale, Uattam B.;Babar, Dattatraya A.;Kalari, Saradhi;Rekha, Estharla M.;Shukla, Manjulika;Kaul, Grace;Sriram, Dharmarajan;Chopra, Sidharth;Misra, Sunil;Rode, Haridas B.. And the article was included in Archiv der Pharmazie (Weinheim, Germany) in 2020.Synthetic Route of C10H9NO2 The following contents are mentioned in the article:

A facile strategy was developed for the synthesis of biol. important 4,5-dihydropyrrolo[1,2-a]quinoxalines I (R = H, F; R¹ = 4-Me, 2-Br, 4-Cl; R² = H, Cl, Me) and spiro derivatives II (R³ = H, Me, Bn; R⁴ = H, Me; R⁵ = H, Me, Cl, F, I, OCF₃; R⁶ = H, Me) by treating 2-(1H-pyrrol-1-yl)anilines 4-R-2-(1H-pyrrol-1-yl)C₆H₃NH₂ such as with imidazo[1,2-a]pyridine-3-carbaldehydes III or isatins IV, using amidosulfonic acid (NH₃SO₃) as a solid catalyst in water at room temperature The protocol has been extended to electrophile ninhydrin. The catalyst could be recycled for six times without the loss of activity. The compounds I, II, V were evaluated for their antituberculosis, antibacterial, and anticancer activities. It is worth noting that compounds I (R = H, R¹ = 2-Br, R² = Cl, Me) demonstrated a min. inhibitory concentration value of 6.25μM against Mycobacterium tuberculosis H37Rv, whereas compounds I (R = H, R¹ = 2-Br, R² = Cl; R = F, R¹ = 2-Br, R² = H), II (R = H, R³ = H, R⁴ = H, R⁵ = I, OCF₃, R⁶ = H; R = H, R³ = Bn, R⁴ = H, R⁵ = H, R⁶ = H) showed a remarkable inhibition of A549, DU145, HeLa, HepG2, MCF-7, and B16-F10 cell lines, resp. Staphylococcus aureus was inhibited by compounds II (R = H, R³ = H, R⁴ = H, R⁵ = Cl, I, OCF₃, R⁶ = H; R = H, F, R³ = H, R⁴ = Me, R⁵ = H, R⁶ = Me) at 32μg/mL. This study involved multiple reactions and reactants, such as 4,7-Dimethylindoline-2,3-dione (cas: 15540-90-6Synthetic Route of C10H9NO2).

Dutt, Rohit et al. published their research in Medicinal Chemistry Research in 2012 | CAS: 15540-90-6

4,7-Dimethylindoline-2,3-dione (cas: 15540-90-6) belongs to indole derivatives. The indole subunit is an almost ubiquitous component of biologically active natural products, and its study has been the focus of research for decades. Indole plays a fundamental role for QS in E. coli, being one of the signal molecules responsible for the transcription of a variety of genes (gabT, and tnaB ASTD). Formula: C10H9NO2

Improved superaugmented eccentric connectivity indices – Part II: Application in development of models for prediction of hiCE and hCE1 inhibitory activities of isatins was written by Dutt, Rohit;Singh, Monika;Madan, A. K.. And the article was included in Medicinal Chemistry Research in 2012.Formula: C10H9NO2 The following contents are mentioned in the article:

Topochem. versions of all the four superaugmented eccentric connectivity indexes (denoted by: ^SAcξ₄^c, ^SAcξ₅^c, ^SAcξ₆^c, and ^SAcξ₇^c) were utilized for the development of models for prediction of hiCE and hCE1 inhibitory activities. The values of these topochem. indexes were computed for each of the 65 analogs constituting the data set using an inhouse computer program. Resulting data was analyzed and suitable models were developed after identification of the active ranges by maximization of moving average with regard to active derivatives Subsequently, two biol. activities were assigned to each analog using proposed models, which were then compared with the reported hiCE and hCE1 inhibitory activities. Statistical significance of topol. indexes/models was investigated through sensitivity, specificity, and Matthews correlation coefficient (MCC). The overall accuracy of prediction varied from a min. of 81% for a model based upon ^SAcξ₄^c to a maximum of 92% in case of a model based upon ^SAcξ₅^c with regard to hiCE inhibitory activity and from a min. of 85% for a model based upon ^SAcξ₄^c to a maximum of 94% in case of a model based upon ^SAcξ₇^c with regard to hCE1 inhibitory activity. An excellent relationship between new generation superaugmented eccentric connectivity topochem. indexes (^SAcξ₄^c, ^SAcξ₅^c, ^SAcξ₆^c, and ^SAcξ₇^c) and hiCE and hCE1 inhibitory activities can be attributed to the sensitivity of the proposed topol. indexes toward nature, number, and relative position of heteroatom. High predictability amalgamated with high potency of the active ranges offer proposed models a vast potential for providing lead structures for development of potent and selective hiCE and hCE1 inhibitors. This study involved multiple reactions and reactants, such as 4,7-Dimethylindoline-2,3-dione (cas: 15540-90-6Formula: C10H9NO2).