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denufosol , CAS No.211448-85-0, Agonist of P2Y 2 receptor;Agonist of P2Y 4 receptor
Basic Description
| Synonyms | denufosol|Denufosol [INN]|211448-85-0|dCp4U|Up4dC|5PC250KSSH|CHEMBL507282|Uridine 5'-(pentahydrogen tetraphosphate), 2'-deoxy-, P''' inverted exclamation marku5'-ester with cytidine|DENUFOSOL [MI]|UNII-5PC250KSSH|DENUFOSOL [WHO-DD]|GTPL1737|SCHEMBL2441484 |
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| Specifications & Purity | Moligand™ |
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| Grade | Moligand™ |
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| Action Type | AGONIST |
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| Mechanism of action | Agonist of P2Y 2 receptor;Agonist of P2Y 4 receptor |
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Names and Identifiers
| IUPAC Name | [[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate |
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| INCHI | InChI=1S/C18H27N5O21P4/c19-11-1-3-22(17(28)20-11)13-5-8(24)9(40-13)6-38-45(30,31)42-47(34,35)44-48(36,37)43-46(32,33)39-7-10-14(26)15(27)16(41-10)23-4-2-12(25)21-18(23)29/h1-4,8-10,13-16,24,26-27H,5-7H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H2,19,20,28)(H,21,25,29)/t8-,9+,10+,13+,14+,15+,16+/m0/s1 |
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| InChi Key | FPNPSEMJLALQSA-MIYUEGBISA-N |
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| Canonical SMILES | Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@H](C1)O)COP(=O)(OP(=O)(OP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(=O)[nH]c1=O)O)O)O)O |
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| Isomeric SMILES | C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O |
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| PubChem CID | 9875516 |
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