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Ap₄A , CAS No.5542-28-9, Antagonist of P2Y 12 receptor;Antagonist of P2Y 13 receptor;Agonist of P2Y 2 receptor;Agonist of P2Y 4 receptor
Basic Description
| Synonyms | 5',5'''-diadenosine tetraphosphate;adenosyl-P4;Ap4A;diadenosine tetraphosphate |
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| Grade | Moligand™ |
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| Action Type | AGONIST, ANTAGONIST |
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| Mechanism of action | Antagonist of P2Y 12 receptor;Antagonist of P2Y 13 receptor;Agonist of P2Y 2 receptor;Agonist of P2Y 4 receptor |
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Names and Identifiers
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphinato]oxy}phosphinato)oxy]phosphonate |
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| INCHI | InChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/p-4/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 |
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| InChi Key | YOAHKNVSNCMZGQ-XPWFQUROSA-J |
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| Canonical SMILES | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2cnc3c2ncnc3N)[O-])[O-])[O-])[O-])O[C@H]([C@@H]1O)n1cnc2c1ncnc2N |
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| Isomeric SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N |
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| PubChem CID | 25243905 |
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