Basic information
- CAS
109292-91-3- Standard SMILES
Cn1cnc2c(NC3CCCC3)ncnc21- InChIKey
LZMRVYPPUVMKOI-UHFFFAOYSA-N- Molecular formula
- C11H15N5
- Average molar mass
- 217.27 g/mol
- Monoisotopic mass
- 217.1327455
Overview
selective, orally active A(1) adenosine receptor antagonist
Names & identifiers
- Preferred name
- N-Cyclopentyl-9-methyl-9H-purin-6-amine
- IUPAC
- N-cyclopentyl-9-methylpurin-6-amine
- English name
- N-0840 (N6-Cyclopentyl-9-methyladenine) selective A1 adenosin
- Molecular formula
- C11H15N5
- Molecular weight
- 217.275
Names & synonyms
109292-91-3n-cyclopentyl-9-methyl-9h-purin-6-amineN(6)-Cyclopentyl-9-methyladenineN-0840DTXSID60148871RefChem:927104DTXCID2071362N6-Cyclopentyl-9-methyladenineN-cyclopentyl-9-methylpurin-6-amineN 0840CHEMBL482789H-Purin-6-amine, N-cyclopentyl-9-methyl-
Show more names
N-0840 (N6-Cyclopentyl-9-methyladenine) selective A1 adenosin
Lopac-N-154Cyclopentyl-(9-methyl-9H-purin-6-yl)-amineLopac0_000921orb1737494SCHEMBL1322040LZMRVYPPUVMKOI-UHFFFAOYSA-NN6 -Cyclopentyl-9-Methyl AdenineBDBM50009698
Database identifiers
- CAS
109292-91-3- PubChem CID
- 4401
- DTXSID
DTXSID60148871- ChEMBL
CHEMBL48278- Nikkaji
- J425.007I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 426.9 · 426.9±48.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 4.15 · 4.15±0.10(Predicted)
Chemistry & industry
Applications
DescriptionN 0840 is a selective, orally active A(1) adenosine receptor antagonist.
Suppliers4 total
上海碧咸医药科技有限公司13816613772 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
1 records
Compound notes
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