GP 531
Basic information
- CAS
142344-87-4- Standard SMILES
NC(=O)c1ncn([C@@H]2O[C@H](CNCc3ccccc3)[C@@H](O)[C@H]2O)c1N- InChIKey
LECUGLHMNZTZQB-XNIJJKJLSA-N- Molecular formula
- C16H21N5O4
- Average molar mass
- 347.37 g/mol
- Monoisotopic mass
- 347.15935417
Overview
an adenosine-regulating agent; structure given in first source
Names & identifiers
- Preferred name
- GP 531
- IUPAC
- 5-amino-1-[(2R,3R,4S,5R)-5-[(benzylamino)methyl]-3,4-dihydroxyoxolan-2-yl]imidazole-4-carboxamide
- English name
- GP 531
- Molecular formula
- C16H21N5O4
- Molecular weight
- 347.37
Names & synonyms
142344-87-4GP531GP 531GP-531UK37HM0CDG1H-Imidazole-4-carboxamide, 5-amino-1-(5-deoxy-5-((phenylmethyl)amino)-beta-D-ribofuranosyl)-RefChem:1442155-amino-1-[(2R,3R,4S,5R)-5-[(benzylamino)methyl]-3,4-dihydroxyoxolan-2-yl]imidazole-4-carboxamide5-Amino-1-beta-D-(5'-benzylamino-5'-deoxyribofuranosyl)imidazole-4-carboxamide5-Amino-1-((2R,3R,4S,5R)-5-((benzylamino)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-1H-imidazole-4-carboxamideUNII-UK37HM0CDGorb1707943
Show more names
GP531,GP-5311H-Imidazole-4-carboxamide, 5-amino-1-[5-deoxy-5-[(phenylmethyl)amino]-β-D-ribofuranosyl]-
SCHEMBL4885021DTXSID90931415GP531?HY-U00116MFCD00910974AKOS040740801CS-7153DA-63869
Database identifiers
- CAS
142344-87-4- PubChem CID
- 164444
- DTXSID
DTXSID90931415- UNII
- UK37HM0CDG
- Nikkaji
- J764.170B
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 462
Physicochemical properties
- Boiling point
- 703.1 · 703.1±60.0 °C(Predicted)
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 125 mg/mL · DMSO: 125 mg/mL (359.85 mM)
- form
- Solid
- pka
- 13.3 · 13.30±0.70(Predicted)
- color
- Off-white to light yellow
- FDA UNII
- 37 HM0CDG · UK37HM0CDG
Chemistry & industry
Applications
UsesGP531 is a potent, second-generation adenosine regulating agent, is pharmacologically silent under basal conditions but increases localized endogenous adenosine during ischemia.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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