Products 163706-06-7
CAS 163706-06-7 appears in our catalog under these names: Cangrelor, Cangrelor free acid, Cangrelor free acid. Offered by: TRC, GLPBio, TargetMol, MedChemExpress. Available pack sizes: 100mg, 10mg, 25mg, 50mg, Get quote.
Cangrelor is a nucleoside triphosphate analogue that is 5'-O-[({[dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine carrying additional 2-(methylsulfanyl)ethyl and (3,3,3-trifluoropropyl)sulfanyl substituents at positions N6 and C2 respectively. Used (in the form of its tetrasodium salt) as an intravenous antiplatelet drug that prevents formation of harmful blood clots in the coronary arteries. It has a role as a platelet aggregation inhibitor and a P2Y12 receptor antagonist. It is an aryl sulfide, an organochlorine compound, an adenosine 5'-phosphate, an organofluorine compound, a nucleoside triphosphate analogue and a secondary amino compound. It is a conjugate acid of a cangrelor(4-).
Source: ChEBI
| Molecular formula | C17H25Cl2F3N5O12P3S2 |
|---|---|
| Molecular weight | 776.4 g/mol |
| IUPAC name | [dichloro-[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid |
| InChIKey | PAEBIVWUMLRPSK-IDTAVKCVSA-N |
| SMILES | CSCCNC1=C2C(=NC(=N1)SCCC(F)(F)F)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O)O |
Computed by PubChem (NCBI)