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491611-55-3

491611-55-3 Structure

491611-55-3 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack 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.
491611-55-3 suppliers list
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