1575609-79-8

Basic information

• Product Name: (2R,3R)-2-(2,4-difluorophenyl)-3-(2-(4-cyanophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
• Synonyms: (2R,3R)-2-(2,4-difluorophenyl)-3-(2-(4-cyanophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
• CAS NO: 1575609-79-8
• Molecular Weight: 491.564
• Mol File: 1575609-79-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (2R,3R)-2-(2,4-difluorophenyl)-3-(2-(4-cyanophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol(CAS DataBase Reference)
• NIST Chemistry Reference: (2R,3R)-2-(2,4-difluorophenyl)-3-(2-(4-cyanophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol(1575609-79-8)
• EPA Substance Registry System: (2R,3R)-2-(2,4-difluorophenyl)-3-(2-(4-cyanophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol(1575609-79-8)

Safety Data

• Hazardous Substances Data: 1575609-79-8(Hazardous Substances Data)

Upstream product

• 230301-73-2 6,7-dihydro-4H-thieno[3,2-c]-pyridine-5-carboxylic acid tert-butyl ester 
• 124627-86-7 1-(((2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl)-methyl)-1H-1,2,4-triazole 
• 1575609-66-3 (2R,3R)-3-(2-bromo-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol 
• 171364-82-2 4-cyanophenylboronic acid pinacol ester 

Relevant articles and documents

Design, synthesis, and structure-activity relationship studies of novel fused heterocycles-linked triazoles with good activity and water solubility

Triazoles with fused-heterocycle nuclei were designed and evaluated for their in vitro activity on the basis of the binding mode of albaconazole using molecular docking, along with SAR of antifungal triazoles. Tetrahydro-[1,2,4] triazolo[1,5-a]pyrazine and tetrahydro-thiazolo[5,4-c]pyridine nuclei were preferable to the other four fused-heterocycle nuclei investigated. Potent in vitro activity, broad spectrum and better water solubility were attained when triazoles containing nitrogen aromatic heterocycles were attached to these two nuclei. The most potent compounds 27aa and 45x, with low hERG inhibition and hepatocyte toxicity, both exhibited excellent activity against Candida, Cryptococcus, and Aspergillus spp., as well as selected fluconazole-resistant strains. A high water-soluble compound 58 (the disulfate salt of 45x) displayed unsatisfactory in vivo activity because of its poor PK profiles. Mice infected with C.alb. SC5314 and C.alb. 103 (fluconazole-resistant strain) and administered with 27aa displayed significantly improved survival rates. 27aa also showed favorable pharmacokinetic (PK) profiles.