| Identification | Back Directory | [Name]
2,2-DIMETHYL-PROPIONIC ACID 3-(2-CHLORO-6-METHYLAMINOPURIN-9-YL)-2-(2,2-DIMETHYL-PROPIONYLOXYMETHYL)-PROPYL ESTER | [CAS]
491611-55-3 | [Synonyms]
MRS 2395
NASABYJQIYJDID-UHFFFAOYSA-N
MRS 2395 >=98% (HPLC), solid
[2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-(2,2-dimethylpropanoyloxy)propyl] 2,2-dimethylpropanoate
Propanoic acid, 2,2-dimethyl-, 1,1'-[2-[[2-chloro-6-(methylamino)-9H-purin-9-yl]methyl]-1,3-propanediyl] ester
2,2-DIMETHYL-PROPIONIC ACID 3-(2-CHLORO-6-METHYLAMINOPURIN-9-YL)-2-(2,2-DIMETHYL-PROPIONYLOXYMETHYL)-PROPYL ESTER
2,2-Dimethyl-propionic acid 3-(2-chloro-6-methylaminopurin-9-yl)-2-(2,2-dimethyl-propionyloxymethyl)-propyl ester | [Molecular Formula]
C20H30ClN5O4 | [MDL Number]
MFCD05865235 | [MOL File]
491611-55-3.mol | [Molecular Weight]
439.94 |
| Chemical Properties | Back Directory | [Boiling point ]
532.5±60.0 °C(Predicted) | [density ]
1.26±0.1 g/cm3(Predicted) | [solubility ]
DMSO: >10 mg/mL | [form ]
solid | [pka]
1.53±0.10(Predicted) | [color ]
white | [InChI]
1S/C20H30ClN5O4/c1-19(2,3)16(27)29-9-12(10-30-17(28)20(4,5)6)8-26-11-23-13-14(22-7)24-18(21)25-15(13)26/h11-12H,8-10H2,1-7H3,(H,22,24,25) | [InChIKey]
NASABYJQIYJDID-UHFFFAOYSA-N | [SMILES]
CNc1nc(Cl)nc2n(CC(COC(=O)C(C)(C)C)COC(=O)C(C)(C)C)cnc12 |
| Hazard Information | Back Directory | [Uses]
MRS 2395 is an antagonist of the P2Y12 purinoceptor. | [Uses]
P2Y12 purinoceptor antagonist | [Biochem/physiol Actions]
Antagonist for P2Y12 purinoceptor; inhibits ADP-induced aggregation in rat platelets and antagonizes ADP-induced inhibition of cAMP in rat and human platelets in the presence of PGE1 without affecting P2Y1 receptor-induced PLC activity in transfected astrocytoma cells. |
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