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2-chloroadenosine-5-triphosphate , CAS No.C607111, Antagonist of P2Y 1 receptor
Basic Description
Synonyms | 2-Chloro-ATP|49564-60-5|2-Chloroadenosine-5-triphosphate|2-Chloro-Adenosinetriphosphate|CHEMBL1368696|[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate|2-ClATP|GTPL1716|SCHEMBL2 |
Specifications & Purity | Moligand™ |
Grade | Moligand™ |
Action Type | ANTAGONIST |
Mechanism of action | Antagonist of P2Y 1 receptor |
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Names and Identifiers
IUPAC Name | [(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate |
INCHI | InChI=1S/C10H15ClN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1 |
InChi Key | RNGCVFCOKZEZFL-UUOKFMHZSA-N |
Canonical SMILES | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1nc(Cl)nc2N |
Isomeric SMILES | C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)Cl)N |
PubChem CID | 162565 |
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