(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(2,3-difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol-d7

CAS: 1643378-48-6

Ref. TR-D447092

Product Information

• Name: (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(2,3-difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol-d7
• CAS: 1643378-48-6

Description

Applications (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(2,3-difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol-d7 is the labelled analogue of (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(2,3-difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol (D447090) which is an impurity of Ticagrelor (T437700); a anticoagulant used in the treatment of acute coronary syndromes.
References Anon, IP.com Journal, 14, 1 (2014);

• Brand: TRC

Chemical properties

• Molecular weight: 529.611
• Formula: C₂₃H₂₁D₇F₂N₆O₄S
• Color/Form: Neat
• InChI: InChI=1S/C23H28F2N6O4S/c1-2-8-36-23-27-21(26-14-9-12(14)11-4-3-5-13(24)17(11)25)18-22(28-23)31(30-29-18)15-10-16(35-7-6-32)20(34)19(15)33/h3-5,12,14-16,19-20,32-34H,2,6-10H2,1H3,(H,26,27,28)/t12-,14+,15+,16-,19-,20+/m0/s1/i1D3,2D2,8D2
• InChI key: InChIKey=LRERWNWIRJOJAN-CDQPBCDWSA-N
• SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])Sc1nc(N[C@@H]2C[C@H]2c2cccc(F)c2F)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1