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PSB-6426 , CAS No.P612993, Inhibitor of ectonucleoside triphosphate diphosphohydrolase 2
Basic Description
| Synonyms | compound 19a |
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| Specifications & Purity | Moligand™ |
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| Grade | Moligand™ |
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| Action Type | INHIBITOR |
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| Mechanism of action | Inhibitor of ectonucleoside triphosphate diphosphohydrolase 2 |
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Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | (2S,3S,4R,5R)-N-[2-[4-(diethoxyphosphorylmethyl)anilino]-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide |
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| INCHI | InChI=1S/C22H29N4O10P/c1-3-34-37(33,35-4-2)12-13-5-7-14(8-6-13)24-16(28)11-23-20(31)19-17(29)18(30)21(36-19)26-10-9-15(27)25-22(26)32/h5-10,17-19,21,29-30H,3-4,11-12H2,1-2H3,(H,23,31)(H,24,28)(H,25,27,32)/t17-,18+,19-,21+/m0/s1 |
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| InChi Key | AEVBPXDFDKBGLT-YOUFYPILSA-N |
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| Canonical SMILES | CCOP(=O)(Cc1ccc(cc1)NC(=O)CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(=O)[nH]c1=O)OCC |
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| Isomeric SMILES | CCOP(=O)(CC1=CC=C(C=C1)NC(=O)CNC(=O)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)OCC |
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| PubChem CID | 24949079 |
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References
| 1. Brunschweiger A, Iqbal J, Umbach F, Scheiff AB, Munkonda MN, Sévigny J, Knowles AF, Müller CE. (2008) Selective nucleoside triphosphate diphosphohydrolase-2 (NTPDase2) inhibitors: nucleotide mimetics derived from uridine-5'-carboxamide.. J Med Chem, 51 (15): (4518-28). [PMID:18630897] [10.1021/op500134e] |
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