Ticagrelor

Description: Ticagrelor is the first reversibly binding oral P2Y12 receptor antagonist with Ki of 2 nM. Ticagrelor / AZD-6140 / AR-C 126532XX is a platelet aggregation inhibitor drug produced by AstraZeneca and was approved in 2011.

• Catalog: OFC274693275
• CAS: 274693-27-5
• Category: Fluorinated APIs
• Synonyms: Brilique
• Purity: >98%

• IUPAC Name: (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
• InChI: InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1
• InChI Key: OEKWJQXRCDYSHL-FNOIDJSQSA-N
• Isomeric SMILES: CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F
• EC Number: 619-540-9

• Molecular Formula: C23H28F2N6O4S
• Molecular Weight: 522.57
• Appearance: White to off-white solid powder

• XLogP3-AA: 2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 522.18608089 g/mol
• Monoisotopic Mass: 522.18608089 g/mol
• Topological Polar Surface Area: 164Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 736