CAS 1354945-69-9

(1S,2S,3R,5S)-3-(7-chloro-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol

Description:

The chemical substance with the name "(1S,2S,3R,5S)-3-(7-chloro-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol" and CAS number "1354945-69-9" is characterized by its complex molecular structure, which includes multiple functional groups and stereocenters. This compound features a cyclopentane core substituted with a hydroxyl group and an ethoxy group, contributing to its potential solubility and reactivity. The presence of a triazolopyrimidine moiety suggests possible biological activity, as such structures are often associated with pharmacological properties. The chlorine and propylthio substituents may influence the compound's lipophilicity and interaction with biological targets. Additionally, the specific stereochemistry indicated by the (1S,2S,3R,5S) configuration is crucial for determining the compound's three-dimensional orientation, which can significantly affect its biological activity and binding affinity. Overall, this compound's unique structural features suggest potential applications in medicinal chemistry, particularly in the development of new therapeutic agents.

Formula: C₁₇H₂₄ClN₅O₄S

InChI: InChI=1S/C17H24ClN5O4S/c1-4-7-28-16-19-14(18)11-15(20-16)23(22-21-11)9-8-10(25-6-5-24)13-12(9)26-17(2,3)27-13/h9-10,12-13,24H,4-8H2,1-3H3/t9-,10+,12+,13-/m1/s1

InChI key: InChIKey=DUDSRYMPNIDSMX-RSLMWUCJSA-N

SMILES: O(CCO)[C@H]1C[C@H]([C@]2([C@@]1(OC(C)(C)O2)[H])[H])N3C=4C(N=N3)=C(Cl)N=C(SCCC)N4

Synonyms:

• 2-[[(3aR,4S,6R,6aS)-6-[7-Chloro-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]ethanol
• (1S,2S,3R,5S)-3-[7-Chloro-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)
• (1S,2S,3R,5S)-3-[7-Chloro-5-(propylsulfanyl)[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
• Ethanol, 2-[[(3aR,4S,6R,6aS)-6-[7-chloro-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-

(1S,2S,3R,5S)-3-[7-Chloro-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol

Controlled Product

CAS: 1354945-69-9

Applications (1S,2S,3R,5S)-3-[7-Chloro-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol is an intermediate in the synthesis of metaboltes of Ticagrelor (T437700) which is the first reversible oral P2Y12 receptor antagonist, provides faster, greater, and more consistent ADP-receptor inhibition than Clopidogrel.

Formula: C₁₄H₂₀ClN₅O₄S

Color and Shape: Neat

Molecular weight: 389.86

Ref: TR-C380695