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MRS2298

CAT: 0013-GTR19197008-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197008-01Size:25 mg
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Description
MRS2298 is a potent and selective P2Y1 receptor antagonist that inhibits platelet aggregation. It is a valuable research tool for studying purinergic signaling in thrombosis and hemostasis, with demonstrated effects in both in vitro and ex vivo human platelet assays.
CAS Number
491611-43-9
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (C (COP (=O) (O) O) COP (=O) (O) O) N1C=2C (=C (NC) N=C (Cl) N2) N=C1
Molecular Formula
C10H16ClN5O8P2
Molecular Weight
431.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mrs2298
CAS Number491611-43-9
PubChem CID10432920
IUPAC Name[2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxypropyl] dihydrogen phosphate
Molecular FormulaC10H16ClN5O8P2
Molecular Weight431.66
XLogP-2
Topological Polar Surface Area189
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity538
SMILES
CNC1=C2C(=NC(=N1)Cl)N(C=N2)CC(COP(=O)(O)O)COP(=O)(O)O
InChI
InChI=1S/C10H16ClN5O8P2/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23-25(17,18)19)4-24-26(20,21)22/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22)
InChIKey
GMCUIIHBWNOHIM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mrs2298
CAS: 491611-43-9
CID: 10432920
Formula: C10H16ClN5O8P2
MW: 431.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.66
XLogP3-2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Exact Mass431.0162642
Monoisotopic Mass431.0162642
Topological Polar Surface Area189 Ų
Heavy Atom Count26
Formal Charge0
Complexity538
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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