Tag: M.W=150-200

An article Design, synthesis and biological assessment of new selective COX-2 inhibitors including methyl sulfonyl moiety WOS:000600418500058 published article about ORAL DRUGLIKENESS; PREDICTION; DERIVATIVES; SOLUBILITY; DISCOVERY in [Saglik, Begum Nurpelin; Osmaniye, Derya; Levent, Serkan; Cevik, Ulviye Acar; Ozkay, Yusuf; Kaplancikli, Zafer Asim] Anadolu Univ, Fac Pharm, Dept Pharmaceut Chem, TR-26470 Eskisehir, Turkey; [Saglik, Begum Nurpelin; Osmaniye, Derya; Levent, Serkan; Cevik, Ulviye Acar; Ozkay, Yusuf] Anadolu Univ, Fac Pharm, Doping & Narcot Cpds Anal Lab, TR-26470 Eskisehir, Turkey; [Cavusoglu, Betul Kaya] Zonguldak Bulent Ecevit Univ, Fac Pharm, Dept Pharmaceut Chem, TR-67600 Zonguldak, Turkey in 2021, Cited 44. Safety of 3,4-Dimethoxybenzaldehyde. The Name is 3,4-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 120-14-9

Nonsteroidal anti-inflammatory drugs (NSAIDs) cause peptic lesions in the gastrointestinal mucosa by inhibiting the cyclooxygenase-1 (COX-1) enzyme. Selective COX-2 inhibition causes decreased side effects over current NSAIDs. Therefore, the studies about selective inhibition of COX-2 enzyme are very important for new drug development. The design, synthesis and biological activity evaluation of novel derivatives bearing thiazolylhydrazine-methyl sulfonyl moiety as selective COX-2 inhibitors were aimed in this paper. The structures of synthesized compounds were assigned using different spectroscopic techniques such as H-1 NMR, C-13 NMR and HRMS. In addition, the estimation of ADME parameters for all compounds was carried out using in silico process. The evaluation of in vitro COX-1/COX-2 enzyme inhibition was applied according to the fluorometric method. According to the enzyme inhibition results, synthesized compounds showed the selectivity against COX-2 enzyme inhibition as expected. Compounds 3a, 3e, 3f, 3g, 3i and 3j demonstrated significant COX-2 inhibition potencies. Among them, compound 3a was found to be the most effective derivative with an IC50 value of 0.140 +/- 0.006 mM. Moreover, it was seen that compound 3a displayed a more potent inhibition profile at least 12-fold than nimesulide (IC50 = 1.684 +/- 0.079 mu M), while it showed inhibitory activity at a similar rate of celecoxib (IC50 = 0.132 +/- 0.005 mu M). Molecular modelling studies aided in the understanding of the interaction modes between this compound and COX-2 enzyme. It was found that compound 3a had a significant binding property. In addition, the selectivity of obtained derivatives on COX-2 enzyme could be explained and discussed by molecular docking studies. (C) 2020 Elsevier Masson SAS. All rights reserved.

About 3,4-Dimethoxybenzaldehyde, If you have any questions, you can contact Saglik, BN; Osmaniye, D; Levent, S; Cevik, UA; Cavusoglu, BK; Ozkay, Y; Kaplancikli, ZA or concate me.. Safety of 3,4-Dimethoxybenzaldehyde

Reference:
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

Recommanded Product: 98-17-9. I found the field of Pharmacology & Pharmacy; Virology very interesting. Saw the article Synthesis and antiviral effect of novel fluoxetine analogues as enterovirus 2C inhibitors published in 2020, Reprint Addresses Brancale, A (corresponding author), Cardiff Univ, Sch Pharm & Pharmaceut Sci, King Edward VII Ave, Cardiff CF10 3NB, Wales.. The CAS is 98-17-9. Through research, I have a further understanding and discovery of 3-(Trifluoromethyl)phenol.

Enteroviruses (EV) are a group of positive-strand RNA ( + RNA) viruses that include many important human pathogens (e.g. poliovirus, coxsackievirus, echovirus, numbered enteroviruses and rhinoviruses). Fluoxetine was identified in drug repurposing screens as potent inhibitor of enterovirus B and enterovirus D replication. In this paper we are reporting the synthesis and the antiviral effect of a series of fluoxetine analogues. The results obtained offer a preliminary insight into the structure-activity relationship of its chemical scaffold and confirm the importance of the chiral configuration. We identified a racemic fluoxetine analogue, 2b, which showed a similar antiviral activity compared to (S)-fluoxetine. Investigating the stereochemistry of 2b revealed that the Senantiomer exerts potent antiviral activity and increased the antiviral spectrum compared to the racemic mixture of 2b. In line with the observed antiviral effect, the Senantiomer displayed a dose-dependent shift in the melting temperature in thermal shift assays, indicative for direct binding to the recombinant 2C protein.

About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Manganaro, R; Zonsics, B; Bauer, L; Lopez, ML; Donselaar, T; Zwaagstra, M; Saporito, F; Ferla, S; Strating, JRPM; Coutard, B; Hurdiss, DL; van Kuppeveld, FJM; Brancale, A or concate me.. Recommanded Product: 98-17-9

Reference:
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

Formula: C9H7NO2. Authors Chheda, PR; Kummer, DA; Nishimura, RT; McClure, KJ; Venkatesan, H in AMER CHEMICAL SOC published article about in [Kummer, David A.] Lundbeck La Jolla Res Ctr Inc, San Diego, CA 92121 USA; [Chheda, Pratik R.; Nishimura, Rachel T.; McClure, Kelly J.; Venkatesan, Hariharan] Janssen Res & Dev, Discovery Chem, San Diego, CA 92121 USA in 2021, Cited 63. The Name is 4-Hydroxyquinolin-2(1H)-one. Through research, I have a further understanding and discovery of 86-95-3

A one-pot, Hantzsch ester-mediated Knoevenagel condensation-reduction reaction has been developed for alkylation of a wide range of substituted 2,4-quinoline diols and 2,4-pyridine diols with aldehydes. The process is operationally simple to perform, scalable, and provides highly useful C-3 alkylated quinoline and pyridine diols in yields of 58-92%. The alkylation products can be converted to 2,4-dihaloquinoline and pyridine substrates for further functionalization.

Formula: C9H7NO2. About 4-Hydroxyquinolin-2(1H)-one, If you have any questions, you can contact Chheda, PR; Kummer, DA; Nishimura, RT; McClure, KJ; Venkatesan, H or concate me.

Reference:
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

SDS of cas: 86-95-3. Authors Aly, AA; Hassan, AA; Mohamed, NK; Abd El-Haleem, LE; Brase, S in SAGE PUBLICATIONS LTD published article about in [Aly, Ashraf A.; Hassan, Alaa A.; Mohamed, Nasr K.; Abd El-Haleem, Lamiaa E.] Menia Univ, Fac Sci, Chem Dept, El Minia 61519, Egypt; [Brase, Stefan] Karlsruhe Inst Technol, Inst Biol & Chem Syst Funct Mol Syst IBCS FMS, Eggenstein Leopoldshafen, Germany in 2020, Cited 13. The Name is 4-Hydroxyquinolin-2(1H)-one. Through research, I have a further understanding and discovery of 86-95-3

A novel series of 7,8-dichlorobenzofuro[3,2-c]quinoline-6,9,10(5H)-triones was obtained regioselectively in good yields. The products were formed by the reactions of the 4-hydroxy-2(1H)-quinolinones with 3,4,5,6-tetrachloro-1,2-benzoquinone in tetrahydrofuran as the solvent. Infrared, nuclear magnetic resonance (two-dimensional nuclear magnetic resonance), mass spectra and elemental analysis were used to elucidate the structures of new compounds.

SDS of cas: 86-95-3. About 4-Hydroxyquinolin-2(1H)-one, If you have any questions, you can contact Aly, AA; Hassan, AA; Mohamed, NK; Abd El-Haleem, LE; Brase, S or concate me.

Reference:
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

An article Molecular iodine mediated oxidative cleavage of the C-N bond of aryl and heteroaryl (dimethylamino)methyl groups into aldehydes WOS:000626241900004 published article about AMINE OXIDATION in [Mandrekar, Ketan S.; Tilve, Santosh G.] Goa Univ, Sch Chem Sci, Taleigao 403206, Goa, India in 2021.0, Cited 58.0. The Name is 3,4-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 120-14-9. Category: indole-building-block

The oxidative cleavage of the C-N bond of aryl and heteroaryl (dimethylamino)methyl groups is achieved by employing molecular iodine as a mild oxidizing agent under ambient conditions in the presence of a mild base. The important reaction of C3 formylation of free NH and substituted indoles containing various substituents is accomplished from the corresponding Mannich bases. This methodology can also be extended for the synthesis of aryl and other heteroaryl aldehydes and ketones. Furthermore, the usefulness of the method is successfully demonstrated on a gram scale.

Category: indole-building-block. About 3,4-Dimethoxybenzaldehyde, If you have any questions, you can contact Mandrekar, KS; Tilve, SG or concate me.

Reference:
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

An article Enantioselective Synthesis of 3,3 ‘-Disubstituted 2-Amino-2 ‘-hydroxy-1,1 ‘-binaphthyls by Copper-Catalyzed Aerobic Oxidative Cross-Coupling WOS:000620194400001 published article about ASYMMETRIC CATALYSIS; BINOL; DERIVATIVES; 2-NAPHTHOL; ACTIVATION; LIGANDS; ACID in [Zhao, Xiao-Jing; Li, Zi-Hao; Ding, Tong-Mei; Tian, Jin-Miao; Tu, Yong-Qiang; Wang, Ai-Fang; Xie, Yu-Yang] Shanghai Jiao Tong Univ, Shanghai Key Lab Mol Engn Chiral Drugs, Frontiers Sci Ctr Transformat Mol, Sch Chem & Chem Engn, Shanghai 200240, Peoples R China; [Tu, Yong-Qiang] Lanzhou Univ, State Key Lab Appl Organ Chem, Lanzhou 730000, Peoples R China; [Tu, Yong-Qiang] Lanzhou Univ, Coll Chem & Chem Engn, Lanzhou 730000, Peoples R China in 2021, Cited 70. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9. Formula: C7H5F3O

A challenging direct asymmetric catalytic aerobic oxidative cross-coupling of 2-naphthylamine and 2-naphthol, using a novel Cu-I/SPDO system, has been successfully developed for the first time. Enantioenriched 3,3 ‘-disubstituted NOBINs were achieved and could be readily derived to divergent chiral ligands and catalysts. This reaction features high enantioselectivities (up to 96 % ee) and good yields (up to 80 %). The DFT calculations suggest that the F-H interactions between CF3 of L17 and H-1,8 of 2-naphthol, and the pi-pi stacking between the two coupling partners could play vital roles in the enantiocontrol of this cross-coupling reaction.

About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Zhao, XJ; Li, ZH; Ding, TM; Tian, JM; Tu, YQ; Wang, AF; Xie, YY or concate me.. Formula: C7H5F3O

Reference:
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

Authors Holota, S; Komykhov, S; Sysak, S; Gzella, A; Cherkas, A; Lesyk, R in MDPI published article about in [Holota, Serhii; Sysak, Stepan; Lesyk, Roman] Danylo Halytsky Lviv Natl Med Univ, Dept Pharmaceut Organ & Bioorgan Chem, Pekarska 69, UA-79010 Lvov, Ukraine; [Holota, Serhii] Lesya Ukrainka Volyn Natl Univ, Dept Organ Chem & Pharm, Volya Ave 13, UA-43025 Lutsk, Ukraine; [Komykhov, Sergiy] Natl Acad Sci Ukraine, Inst Single Crystals, State Sci Inst, Nauky Ave 60, UA-61072 Kharkiv, Ukraine; [Komykhov, Sergiy] Kharkov Natl Univ, Appl Chem Dept, Svobody Sq 4, UA-61022 Kharkiv, Ukraine; [Gzella, Andrzej] Poznan Univ Med Sci, Dept Organ Chem, Grunwaldzka 6, PL-60780 Poznan, Poland; [Cherkas, Andriy] Danylo Halytsky Lviv Natl Med Univ, Dept Internal Med 1, Pekarska 69, UA-79010 Lvov, Ukraine; [Lesyk, Roman] Univ Informat Technol & Management Rzeszow, Fac Med, Dept Publ Hlth Dietet & Lifestyle Disorders, Sucharskiego 2, PL-35225 Rzeszow, Poland; [Cherkas, Andriy] Sanofi Aventis Deutschland GmbH, Team Early Projects Type Diabet 1, Therapeut Area Diabet & Cardiovasc Med, Res & Dev, Ind Pk Hochst H831, D-65926 Frankfurt, Germany in 2021.0, Cited 55.0. Recommanded Product: 120-14-9. The Name is 3,4-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 120-14-9

The present paper is devoted to the search for drug-like molecules with anticancer properties using the thiazolo[3,2-b][1,2,4]triazole-6-one scaffold. A series of 24 novel thiazolo-[3,2-b][1,2,4]triazole-6-ones with 5-aryl(heteryl)idene- and 5-aminomethylidene-moieties has been synthesized employing three-component and three-stage synthetic protocols. A mixture of Z/E-isomers was obtained in solution for the synthesized 5-aminomethylidene-thiazolo[3,2-b]-[1,2,4]triazole-6-ones. The compounds have been studied for their antitumor activity in the NCI 60 lines screen. Some compounds present excellent anticancer properties at 10 mu M. Derivatives 2h and 2i were the most active against cancer cell lines without causing toxicity to normal somatic (HEK293) cells. A preliminary SAR study had been performed for the synthesized compounds.

Recommanded Product: 120-14-9. About 3,4-Dimethoxybenzaldehyde, If you have any questions, you can contact Holota, S; Komykhov, S; Sysak, S; Gzella, A; Cherkas, A; Lesyk, R or concate me.

Reference:
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

I found the field of Biochemistry & Molecular Biology; Chemistry very interesting. Saw the article Novel Pyrazoloquinolin-2-ones: Design, synthesis, docking studies, and biological evaluation as antiproliferative EGFR-TK inhibitors published in 2019. Formula: C9H7NO2, Reprint Addresses Aly, AA (corresponding author), Menia Univ, Fac Sci, Dept Chem, Al Minya 61519, Egypt.; Abuo-Rahma, GEDA (corresponding author), Menia Univ, Fac Pharm, Dept Med Chem, Al Minya 61519, Egypt.. The CAS is 86-95-3. Through research, I have a further understanding and discovery of 4-Hydroxyquinolin-2(1H)-one

Two new series of diethyl 2-[2-(substituted-2-oxo-1,2-dihydroquinolin-4-yl)hydrazono]-succinates 6a-g and 1-(2-oxo-1,2-dihydroquinolin-4-yl)-1H-pyrazoles 7a-f have been designed and synthesized. The structures of the synthesized compounds were proved by IR, mass, NMR (2D) spectra and elemental analyses. The target compounds were evaluated for their in vitro cytotoxic activity against 60 cancer cell lines according to NCI protocol. Consequently, seven compounds were further examined against the most sensitive cell lines, leukemia CCRFCEM, and MOLT-4. 5-Amino-1-(6-bromo-2-oxo-1,2-dihydroquinolin-4-yl)-1H-pyrazole-3,4-dicarbonitrile (7f) was the most active product, with IC50= 1.35 uM and 2.42 uM against MOLT-4 and CCRF-CEM, respectively. Also, it showed a remarkable inhibitory activity compared to erlotinib on the EGFR TK with IC50 = 247.14 nM and 208.42 nM, respectively. Cell cycle analysis of MOLT-4 cells treated with 7f showed cell cycle arrest at G2/M phase (supported by Caspases, BAX and Bcl-2 studies) with a significant pro-apoptotic activity as indicated by annexin V-FITC staining. Moreover, the docking study indicated that both the pyrazole moiety and the quinolin-2-one ring showed good fitting into EGFR (PDB code: 1M17). In order to interpret SAR of the designed compounds, and provide a basis for further optimization, molecular docking of the synthesized compounds to known EGFR inhibitors was performed. The study illustrated the effect of several factors on the compounds’ activity.

About 4-Hydroxyquinolin-2(1H)-one, If you have any questions, you can contact Elbastawesy, MAI; Aly, AA; Ramadan, M; Elshaier, YAMM; Youssif, BGM; Brown, AB; Abuo-Rahma, GEDA or concate me.. Formula: C9H7NO2

Reference:
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

Authors Pippione, AC; Sainas, S; Goyal, P; Fritzson, I; Cassiano, GC; Giraudo, A; Giorgis, M; Tavella, TA; Bagnati, R; Rolando, B; Caing-Carlsson, R; Costa, FTM; Andrade, CH; Al-Karadaghi, S; Boschi, D; Friemann, R; Lolli, ML in ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER published article about POTENT; DESIGN; TARGET; DSM265 in [Pippione, Agnese C.; Sainas, Stefano; Giraudo, Alessandro; Giorgis, Marta; Rolando, Barbara; Boschi, Donatella; Lolli, Marco L.] Univ Turin, Dept Sci & Drug Technol, Via Pietro Giuria 9, I-10125 Turin, Italy; [Goyal, Parveen; Caing-Carlsson, Rhawnie; Friemann, Rosmarie] Univ Gothenburg, Dept Chem & Mol Biol, Box 462, S-40530 Gothenburg, Sweden; [Goyal, Parveen] Inst Stem Cell Biol & Regenerat Med, Technol Adv Sci, Bengaluru 560065, India; [Fritzson, Ingela] Chemoswed, Celsiusgatan 35, S-21214 Malmo, Sweden; [Cassiano, Gustavo C.; Tavella, Tatyana A.; Costa, Fabio T. M.] Univ Estadual Campinas, Dept Genet Evolut & Bioagents, Lab Trop Dis Prof Luiz Jacintho da Silva, BR-13083864 Campinas, SP, Brazil; [Bagnati, Renzo] Ist Ric Farmacol Mario Negri IRCCS, Via La Masa 19, I-20156 Milan, Italy; [Andrade, Carolina Horta] Univ Fed Goias, LabMol, Fac Pharm, BR-74605170 Goiania, Go, Brazil; [Al-Karadaghi, Salam] Lund Univ, Dept Biochem & Struct Biol, Lund, Sweden; [Friemann, Rosmarie] Univ Gothenburg, Ctr Antibiot Resistance Res CARe, Box 440, S-40530 Gothenburg, Sweden in 2019, Cited 40. Application In Synthesis of 3-(Trifluoromethyl)phenol. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9

Plasmodium falciparum dihydroorotate dehydrogenase (PJDHODH) has been clinically validated as a target for antimalarial drug discovery, as a triazolopyrimidine class inhibitor (DSM265) is currently undergoing clinical development. Here, we have identified new hydroxyazole scaffold-based PJDHODH inhibitors belonging to two different chemical series. The first series was designed by a scaffold hopping strategy that exploits the use of hydroxylated azoles. Within this series, the hydroxythiadiazole 3 was identified as the best selective PJDHODH inhibitor (IC50 12.0 mu M). The second series was designed by modulating four different positions of the hydroxypyrazole scaffold. In particular, hydroxypyrazoles 7e and 7f were shown to be active in the low mu M range (IC50 2.8 and 5.3 mu M, respectively). All three compounds, 3, 7e and 7f showed clear selectivity over human DHODH (IC50> 200 mu M), low cytotoxicity, and retained micromolar activity in P. falciparum-infected erythrocytes. The crystallographic structures of PJDHODH in complex with compounds 3 and 7e proved their binding mode, supplying essential data for future optimization of these scaffolds. (C) 2018 Elsevier Masson SAS. All rights reserved.

About 3-(Trifluoromethyl)phenol, If you have any questions, you can contact Pippione, AC; Sainas, S; Goyal, P; Fritzson, I; Cassiano, GC; Giraudo, A; Giorgis, M; Tavella, TA; Bagnati, R; Rolando, B; Caing-Carlsson, R; Costa, FTM; Andrade, CH; Al-Karadaghi, S; Boschi, D; Friemann, R; Lolli, ML or concate me.. Application In Synthesis of 3-(Trifluoromethyl)phenol

Reference:
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

Product Details of 120-14-9. Authors Reihani, N; Kiyani, H in BENTHAM SCIENCE PUBL LTD published article about in [Reihani, Neda; Kiyani, Hamzeh] Damghan Univ, Sch Chem, POB 36716-41167, Damghan, Iran; [Kiyani, Hamzeh] Shahrekord Univ, Fac Sci, Dept Chem, Shahrekord, Iran in 2021.0, Cited 67.0. The Name is 3,4-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 120-14-9

An efficient synthesis of 4-arylidene-3-alkylisoxazole-5(4H)-ones has been implemented via the three-component cyclocondensation of aryl(heteroaryl)aldehydes with hydroxylamine hydrochloride and beta-ketoesters. The potassium 2,5-dioxoimidazolidin-1-ide has been introduced as the new organocatalyst to facilitate this heterocyclization. In the current process, three starting materials, including substituted benzaldehydes/heterocyclic aromatic aldehydes, hydroxylamine hydrochloride, and ethyl acetoacetate/propyl acetoacetate/butyryl acetoacetate have been successfully used to synthesize the number of substituted isoxazole-5-(4H)-ones in good to high yields in ethylene glycol as a green reaction medium at 80 degrees C. The low catalyst loading is also a main advantage over some reported catalysts.

Product Details of 120-14-9. About 3,4-Dimethoxybenzaldehyde, If you have any questions, you can contact Reihani, N; Kiyani, H or concate me.

Reference:
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