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Structure-activity correlations for phenoxyacetic acids and indoleacetic acids used for plant growth regulation was written by Block, Arthur McB.;Clements, Richard G.. And the article was included in International Journal of Quantum Chemistry, Quantum Biology Symposium in 1975.Synthetic Route of C10H8ClNO2 This article mentions the following:

Calculations using self-consistent field (SCF) mol. orbital (MO) theory with complete neglect of differential overlap (CNDO) were carried out on a series of halo-substituted phenoxyacetic and indoleacetic acids. No net pos. charge development calculated for the N-H group in the substituted indoleacetic acids gave the observed order of auxin activity. No development of pos. charge in the 锜?pz system calculated for N was in any way comparable to the observed auxin activity increase. However, the energies of the lowest unoccupied mol. orbitals (LUMO) decreased nearly linearly with increasing auxin activity. Twelve substituted phenoxyacetic acids, also studied, showed a correlation between the LUMO energies and the square of the LUMO coefficients at the ortho position, resp., and plant auxin activity when the lipophilicity of mols. in the series was taken into account. The correlation coefficient of the activity as function of LUMO energy was virtually identical to that calculated from the data of Hansch and coworkers (1963), using ring substituent Hammett sigma values for the ortho position instead of the LUMO energies. In the experiment, the researchers used many compounds, for example, 2-(5-Chloro-1H-indol-3-yl)acetic acid (cas: 1912-45-4Synthetic Route of C10H8ClNO2).

2-(5-Chloro-1H-indol-3-yl)acetic acid (cas: 1912-45-4) belongs to indole derivatives. Indole could be stereoselectively alkylated with chiral cyclopentyl sulfone reagent. 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 C10H8ClNO2

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

On the antioxidant activity of ortho- and meta-substituted indolin-2-one derivatives was written by Najafi, Meysam. And the article was included in Monatshefte fuer Chemie in 2014.Computed Properties of C8H6BrNO This article mentions the following:

The antioxidant activity of ortho- and meta-substituted indolin-2-one derivatives was investigated in the gas phase and water. The reaction enthalpies of the individual steps of three antioxidant mechanisms of the studied derivatives were calculated and compared with the corresponding values of indolin-2-one. The results show that electron-withdrawing substituents increase the bond dissociation enthalpy and ionization potential, whereas electron-donating substituents increase the proton affinity. The indolin-2-one derivatives with the lowest bond dissociation enthalpy, ionization potential, and proton affinity values were identified as the compounds with high antioxidant activity. The results show that indolin-2-one derivatives with substituents in the ortho position are promising potential novel antioxidants. The results also show that the protective role of indolin-2-one derivatives occurs via hydrogen atom transfer and a sequential proton loss electron transfer mechanism in the gas phase and water, resp. The calculated reaction enthalpies of the substituted indolin-2-ones are linearly dependent on the Hammett constants and E_HOMO such that the latter can be utilized in the selection of suitable substituents for the synthesis of novel antioxidants based on indolin-2-one. In the experiment, the researchers used many compounds, for example, 7-Bromooxindole (cas: 320734-35-8Computed Properties of C8H6BrNO).

7-Bromooxindole (cas: 320734-35-8) belongs to indole derivatives. Indole exists overwhelmingly in the 1H-indole form as do other simple indoles. Due to this activity, the indole ring system has become an important component or intermediate in the synthesis of heterocycles.Computed Properties of C8H6BrNO

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

Synthesis of scalaridine A was written by Kim, Se Hun;Sperry, Jonathan. And the article was included in Tetrahedron Letters in 2015.Recommanded Product: tert-Butyl 5-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate This article mentions the following:

A synthesis of the pyridine-linked bisindole alkaloid scalaridine A is described. An iridium catalyzed, directed C-H borylation of N-Boc-5-methoxyindole gave the corresponding 3-borylindole, which underwent a one-pot, double Suzuki-Miyaura cross-coupling reaction with 3,5-dibromopyridine to install the entire heteroaromatic framework of the natural product. Removal of the protecting groups gave a synthetic sample of scalaridine A, which was spectroscopically identical to that described in the isolation report. In the experiment, the researchers used many compounds, for example, tert-Butyl 5-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate (cas: 1256359-99-5Recommanded Product: tert-Butyl 5-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate).

tert-Butyl 5-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate (cas: 1256359-99-5) 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). Recommanded Product: tert-Butyl 5-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate

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

Intermolecular [2π+2σ]-photocycloaddition enabled by triplet energy transfer was written by Kleinmans, Roman;Pinkert, Tobias;Dutta, Subhabrata;Paulisch, Tiffany O.;Keum, Hyeyun;Daniliuc, Constantin G.;Glorius, Frank. And the article was included in Nature (London, United Kingdom) in 2022.Related Products of 167631-84-7 This article mentions the following:

For more than one century, photochem. [2+2]-cycloadditions have been used by synthetic chemists to make cyclobutanes, four-membered carbon-based rings. In this reaction, typically two olefin subunits (two π-electrons per olefin) cyclize to form two new C-C σ-bonds. Although the development of photochem. [2+2]-cycloadditions has made enormous progress within the last century, research has been focused on such [2π+2π]-systems, in which two π-bonds are converted into two new σ-bonds. Here an intermol. [2+2]-photocycloaddition that uses bicyclo[1.1.0]butanes as 2σ-electron reactants was reported. This strain-release-driven [2π+2σ]-photocycloaddition reaction was realized by visible-light-mediated triplet energy transfer catalysis. A simple, modular and diastereoselective synthesis of bicyclo[2.1.1]hexanes from heterocyclic olefin coupling partners, namely coumarins, flavones and indoles, is disclosed. Given the increasing importance of bicyclo[2.1.1]hexanes as bioisosteres-groups that convey similar biol. properties to those they replace-in pharmaceutical research and considering their limited access, there remains a need for new synthetic methodologies. Applying this strategy enabled to extend the intermol. [2+2]-photocycloadditions to σ-bonds and provides previously inaccessible structural motifs. In the experiment, the researchers used many compounds, for example, Methyl 5-fluoro-1H-indole-2-carboxylate (cas: 167631-84-7Related Products of 167631-84-7).

Methyl 5-fluoro-1H-indole-2-carboxylate (cas: 167631-84-7) 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.Related Products of 167631-84-7

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

Winski, S. L. published the artcileRelationship between NAD(P)H:quinone oxidoreductase 1 (NQO1) levels in a series of stably transfected cell lines and susceptibility to antitumor quinones, Recommanded Product: 5-Methoxy-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]indole-4,7-dione, the publication is Biochemical Pharmacology (2001), 61(12), 1509-1516, database is CAplus and MEDLINE.

To investigate the importance of NAD(P)H:quinone oxidoreductase 1 (or DT-diaphorase; NQO1) in the bioactivation of antitumor quinones, we established a series of stably transfected cell lines derived from BE human colon adenocarcinoma cells. BE cells have no NQO1 activity due to a genetic polymorphism. The new cell lines, BE-NQ, stably express wild-type NQO1. BE-NQ7 cells expressed the highest level of NQO1 and were more susceptible [determined by the thiazolyl blue (MTT) assay] to known antitumor quinones and newer clin. candidates. Inhibition of NQO1 by pretreatment with an irreversible inhibitor, ES936 [5-methoxy-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]indole-4,7-dione], protected BE-NQ7 cells from toxicity induced by streptonigrin, ES921 [5-(aziridin-1-yl)-3-(hydroxymethyl)-1,2-dimethylindole-4,7-dione], and RH1 [2,5-diaziridinyl-3-(hydroxymethyl)-6-methyl-1,4-benzoquinone]. RH1 was evaluated further by clonogenic assay for cytotoxic response and was more cytotoxic to BE-NQ7 cells than to BE cells. Cytotoxicity was abrogated by inhibition of NQO1 with ES936 pretreatment. Using a comet assay to evaluate DNA crosslinking, BE-NQ7 cells demonstrated significantly higher DNA cross-links than did BE cells in response to RH1 treatment. DNA crosslinking in BE-NQ7 cells was observed at very low concentrations of RH1 (5 nM), confirming that NQO1 activates RH1 to a potent crosslinking species. Further studies using streptonigrin, ES921, and RH1 were undertaken to analyze the relationship between NQO1 activity and quinone toxicity. Toxicity of these compounds was measured in a panel of BE-NQ cells expressing a range of NQO1 activity (23-433 nmol/min/mg). Data obtained suggest a threshold for NQO1-induced toxicity above 23 nmol/min/mg and a sharp dose-response curve between the no effect level of NQO1 (23 nmol/min/mg) and the maximal effect level (>77 nmol/min/mg). These data provide evidence that NQO1 can bioactivate antitumor quinones in this system and suggest that a threshold level of NQO1 activity is required to initiate toxic events.

Biochemical Pharmacology published new progress about 192820-78-3. 192820-78-3 belongs to indole-building-block, auxiliary class Fused/Partially Saturated Cycles,Dihydroindoles, name is 5-Methoxy-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]indole-4,7-dione, and the molecular formula is C12H6NNaO4, Recommanded Product: 5-Methoxy-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]indole-4,7-dione.

Referemce:
https://www.nature.com/articles/s41429-020-0333-2,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Liu, Chengjun published the artcileGold(I)-catalyzed pathway-switchable tandem cycloisomerizations to indolizino[8,7-b]indole and indolo[2,3-a]quinolizine derivatives, Formula: C15H20N2O2, the publication is Chemical Communications (Cambridge, United Kingdom) (2019), 55(96), 14418-14421, database is CAplus and MEDLINE.

Exptl. and theor. explorations were performed on the pathways of the cascade cycloisomerizations of tryptamine-N-ethynylpropiolamide substrates. The methodol. provided a common strategy to access either indolizino[8,7-b]indoles or indolo[2,3-a]quinolizines in a switchable fashion.

Chemical Communications (Cambridge, United Kingdom) published new progress about 167015-84-1. 167015-84-1 belongs to indole-building-block, auxiliary class Indols, name is tert-Butyl 3-(2-aminoethyl)-1H-indole-1-carboxylate, and the molecular formula is C15H20N2O2, Formula: C15H20N2O2.

Referemce:
https://www.nature.com/articles/s41429-020-0333-2,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Chang, Zhe published the artcileCopper catalyzed late-stage C(sp3)-H functionalization of nitrogen heterocycles, Formula: C8H6ClNO, the main research area is functionalized nitrogen heterocycle preparation; nitrogen heterocycle functionalization copper catalyst.

A copper-catalyzed late-stage C(sp3)-H functionalization of N-heterocycles using com. available catalysts under mild reaction conditions was reported. We have investigated eight types of N-heterocycles such as I (R = H, Me) which were usually found in medicinally important skeletons. The scope and utility of this approach were demonstrated by late-stage C(sp3)-H modification of these heterocycles including a number of pharmaceuticals with a broad range of nucleophiles, such as methylation, arylation, azidination, mono-deuteration, and glycoconjugation. Preliminary mechanistic studies revealed that the reaction undergoes a C-H fluorination process which is followed by a nucleophilic substitution.

Nature Communications published new progress about Alkylation. 74572-29-5 belongs to class indole-building-block, name is 5-Chloroisoindolin-1-one, and the molecular formula is C8H6ClNO, Formula: C8H6ClNO.

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

On January 13, 2011, Yao, Chun-Hsu; Song, Jen-Shin; Chen, Chiung-Tong; Yeh, Teng-Kuang; Hung, Ming-Shiu; Chang, Chih-Chun; Liu, Yu-Wei; Yuan, Mao-Chia; Hsieh, Chieh-Jui; Huang, Chung-Yu; Wang, Min-Hsien; Chiu, Ching-Hui; Hsieh, Tsung-Chih; Wu, Szu-Huei; Hsiao, Wen-Chi; Chu, Kuang-Feng; Tsai, Chi-Hui; Chao, Yu-Sheng; Lee, Jinq-Chyi published an article.Reference of 6-Chloro-2,3-dihydro-1H-indole The title of the article was Discovery of Novel N-β-D-Xylosyl-indole Derivatives as Sodium-Dependent Glucose Co-transporter 2 (SGLT2) Inhibitors for the Management of Hyperglycemia in Diabetes. And the article contained the following:

A novel series of N-linked β-D-xylosides were synthesized and evaluated for inhibitory activity against sodium-dependent glucose co-transporter 2 (SGLT2) in a cell-based assay. Of these, the β-D-xylopyranosyl-1H-indole I (R = 4-chlorocyclopropylbenzyl) was the most potent inhibitor, with an EC50 value similar to that of the natural SGLT2 inhibitor phlorizin. Further studies in Sprague-Dawley (SD) rats indicated that I significantly increased urine glucose excretion in a dose-dependent manner with oral administration. The antihyperglycemic effect of I was also observed in streptozotocin (STZ) induced diabetic SD rats. These results described here are a good starting point for further investigations into N-glycoside SGLT2 inhibitors. The experimental process involved the reaction of 6-Chloro-2,3-dihydro-1H-indole(cas: 52537-00-5).Reference of 6-Chloro-2,3-dihydro-1H-indole

The Article related to aryl c glycoside preparation antidiabetic, human xyloside indole sglt2 inhibitor hyperglycemia diabetes antidiabetic preparation, Carbohydrates: Glycosides and other aspects.Reference of 6-Chloro-2,3-dihydro-1H-indole

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

On July 1, 2021, Li, Yao; Chen, Lei; Wang, Wenjing; Zhang, Guobiao; Shi, Zongjun; Huang, Haitao; Zhao, Jianfei; Yang, Long; Liu, Guoliang; Huang, Shilin; Tang, Pingming; Ye, Fei; Zhang, Chen; Yan, Pangke published a patent.Computed Properties of 65417-22-3 The title of the patent was Preparation of the zeste enhancer homologue 2 inhibitor and their medical applications. And the patent contained the following:

The invention is related to the preparation of the zeste enhancer homolog 2 inhibitors I and their medical applications. The invention compounds I, wherein R1 is H, C1-4alkyl, halo, etc.; R2 is C1-4alkyl; (L1CRLaRLb)m-(NRLc)n-W-(NRLc)p-(CCRLaRLb)q; W is CO, SO2, CS, etc.; RLa and RLb are each independently selected from H, C1-4alkyl, halo etc.; RLc is H, C1-4alkyl, halo substituted C1-4alkyl; m, n, p ,q are each independently selected from 0, 1, 2, 3 or 4; X is C, N NRx1, etc.; Rx1 is H, C1-4alkyl, C3-6cycloalkyl; Rx2 is H, halo, C1-4alkyl, etc.; B is Ph, pyridyl, etc.; RB is H, C1-4alkyl, C1-4alkoxy, etc.; RB1 and RB2 each independently selected from H, C1-4alkyl, etc.; RB3 is C1-4alkyl, C3-6cycloalkyl, etc.; t is 0, 1, 2 or 3; R4 and R5 each independently selected from H, C1-4alkyl, halo substituted C1-4alkyl, etc.; s is 0, 1, 2 or 3; A is a 4-12 membered carbocyclic or heterocyclic ring containing 0-3 heteroatoms selected from N and S; and their stereoisomer, pharmaceutically acceptable salt, solvate and eutectic crystal are claimed. Compound I was prepared by multi-step procedure (procedure given). The invention compounds were evaluated for their EZH2 inhibitory activity. The experimental process involved the reaction of Methyl 2-methyl-1H-indole-3-carboxylate(cas: 65417-22-3).Computed Properties of 65417-22-3

The Article related to preparation zeste enhancer homolog inhibitor medical application, Heterocyclic Compounds (One Hetero Atom): Pyridines and other aspects.Computed Properties of 65417-22-3

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

On January 15, 2016, Xie, Wucheng; Li, Bin; Wang, Baiquan published an article.Recommanded Product: 6-Chloro-2,3-dihydro-1H-indole The title of the article was Rh(III)-Catalyzed C7-Thiolation and Selenation of Indolines. And the article contained the following:

The rhodium(III)-catalyzed intermol. C7-thiolation and selenation of indolines with disulfides and diselenides were developed. This protocol relies on the use of a removable pyrimidyl directing group to access valuable C-7 functionalized indoline scaffolds with ample substrate scope and broad functional group tolerance. The experimental process involved the reaction of 6-Chloro-2,3-dihydro-1H-indole(cas: 52537-00-5).Recommanded Product: 6-Chloro-2,3-dihydro-1H-indole

The Article related to regioselective thiolation selenation indoline disulfide diselenide, Heterocyclic Compounds (One Hetero Atom): Indoles, Indolizines, Carbazoles, and Other Arenopyrroles and other aspects.Recommanded Product: 6-Chloro-2,3-dihydro-1H-indole

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