MRS 2179, P2Y1 antagonist

Key facts

CAS number

101204-49-3

Purity

>98%

Form

Solid

form

Molecular weight

460.27 Da

Molecular formula

C₁₁H₂₂N₆O₁₀P₂

PubChem

71308613

Nature

Synthetic

Solubility

Soluble in water to 100 mM

Biochemical name

MRS 2179 ammonium salt hydrate, >=98% (HPLC)

Biological description

Potent, selective, competitive P2Y1 antagonist (Ki = 100 nM). Inhibits ATP induced glutamate release *in vitro* and inhibits ADP ability to evoke platelet shape change and aggregation.

Canonical smiles

CNC1=C2C(=NC=N1)N(C=N2)C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)O.N.O

Isomeric smiles

CNC1=C2C(=NC=N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O.N.O

InChi

InChI=1S/C11H17N5O9P2.H3N.H2O/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(25-27(20,21)22)7(24-8)3-23-26(17,18)19;;/h4-8H,2-3H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22);1H3;1H2/t6-,7+,8+;;/m0../s1

InChiKey

DEQIORFOBOEGKZ-ZJWYQBPBSA-N

IUPAC Name

azane;[(2R,3S,5R)-5-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate;hydrate