3′-Adenylic acid, 2′-deoxy-N-methyl-, 5′-(dihydrogen phosphate)
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3′-Adenylic acid, 2′-deoxy-N-methyl-, 5′-(dihydrogen phosphate)
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CAS No:
101204-49-3
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Formula:
C11H17N5O9P2
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Chemical Name:
3′-Adenylic acid, 2′-deoxy-N-methyl-, 5′-(dihydrogen phosphate)
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Synonyms:
3′-Adenylic acid,2′-deoxy-N-methyl-,5′-(dihydrogen phosphate);MRS 2179
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CAS No:
Characteristics
229.32000
1.56850
2.15±0.1 g/cm3(Predicted)
821.6±75.0 °C(Predicted)
DMSO: 1.1 mg/mL
−20°C
Drug Information
Compounds that bind to and block the stimulation of PURINERGIC P2Y RECEPTORS. Included under this heading are antagonists for specific P2Y receptor subtypes. (See all compounds classified as Purinergic P2Y Receptor Antagonists.)
(33P)-N(6)-methyl-2'-deoxyadenosine-3',5'-bisphosphate
3′-Adenylic acid, 2′-deoxy-N-methyl-, 5′-(dihydrogen phosphate) Use and Manufacturing
A competitive antagonist at P2Y 1 receptors (K B = 100 nM). Selective over P2X 1 (IC 50 = 1.15 μ M), P2X 3 (IC 50 = 12.9 μ M), P2X 2 , P2X 4 , P2Y 2 , P2Y 4 and P2Y 6 receptors.
Computed Properties
Molecular Weight:425.23
XLogP3:-2.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:7
Exact Mass:425.05015113
Monoisotopic Mass:425.05015113
Topological Polar Surface Area:198
Heavy Atom Count:27
Complexity:617
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3′-Adenylic acid, 2′-deoxy-N-methyl-, 5′-(dihydrogen phosphate)
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