CAS 220347-05-7

(1S,2R,3S,4R)-4-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)amino)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)cyclopentane-1,2,3-triol

Description:

The chemical substance with the name "(1S,2R,3S,4R)-4-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)amino)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)cyclopentane-1,2,3-triol" and CAS number "220347-05-7" is a complex organic compound characterized by its multi-cyclic structure and specific stereochemistry. It features a cyclopentane core substituted with a triazolopyrimidine moiety, which is linked to a cyclopropyl group containing a difluorophenyl substituent. The presence of multiple functional groups, including amino and thiol groups, suggests potential biological activity, possibly as a pharmaceutical agent. The stereochemical configuration indicated by the (1S,2R,3S,4R) and (1R,2S) descriptors implies that the compound exhibits chirality, which can significantly influence its interaction with biological targets. This compound may be investigated for its pharmacological properties, including its efficacy and safety profile in various therapeutic applications. Overall, its intricate structure and functional diversity make it a subject of interest in medicinal chemistry and drug development.

Formula:C21H24F2N6O3S

InChI:InChI=1S/C21H24F2N6O3S/c1-2-5-33-21-25-19(24-13-7-10(13)9-3-4-11(22)12(23)6-9)16-20(26-21)29(28-27-16)14-8-15(30)18(32)17(14)31/h3-4,6,10,13-15,17-18,30-32H,2,5,7-8H2,1H3,(H,24,25,26)/t10-,13+,14+,15-,17-,18+/m0/s1

InChI key:XYLIQTKEYHWYGG-XUNGLMTJSA-N

SMILES:CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)O)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F