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- [dibromo-[[[(2R,3S,4R,5R)-5-(6-diethylaminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid , CAS No.D607732, Inhibitor of ectonucleoside triphosphate diphosphohydrolase 1
[dibromo-[[[(2R,3S,4R,5R)-5-(6-diethylaminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid , CAS No.D607732, Inhibitor of ectonucleoside triphosphate diphosphohydrolase 1
Basic Description
Synonyms | ARL 67156 | 6-N,N-DIETHYL-D-BETA-GAMMA-DIBROMOMETHYLENE ATP | FPL 67156 | FPL-67156 | [dibromo-[[[(2R,3S,4R,5R)-5-(6-diethylaminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid | DTXSID301017960 |
Specifications & Purity | Moligand™ |
Grade | Moligand™ |
Action Type | INHIBITOR |
Mechanism of action | Inhibitor of ectonucleoside triphosphate diphosphohydrolase 1 |
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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 | [dibromo-[[[(2R,3S,4R,5R)-5-(6-diethylaminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid |
INCHI | InChI=1S/C15H24Br2N5O12P3/c1-3-21(4-2)12-9-13(19-6-18-12)22(7-20-9)14-11(24)10(23)8(33-14)5-32-37(30,31)34-36(28,29)15(16,17)35(25,26)27/h6-8,10-11,14,23-24H,3-5H2,1-2H3,(H,28,29)(H,30,31)(H2,25,26,27)/t8-,10-,11-,14-/m1/s1 |
InChi Key | ILXFKEOLRYLPJG-IDTAVKCVSA-N |
Canonical SMILES | CCN(c1ncnc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Br)Br)O)O)CC |
Isomeric SMILES | CCN(CC)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Br)Br)O)O)O |
PubChem CID | 10078572 |
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References
1. Crack BE, Pollard CE, Beukers MW, Roberts SM, Hunt SF, Ingall AH, McKechnie KC, IJzerman AP, Leff P. (1995) Pharmacological and biochemical analysis of FPL 67156, a novel, selective inhibitor of ecto-ATPase.. Br J Pharmacol, 114 (2): (475-81). [PMID:7533620] [10.1021/op500134e] |
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