Basic information
- CAS
256461-79-7- Standard SMILES
C[C@H](O)[C@@H](CCc1cccc2ccccc12)n1cnc(C(N)=O)c1- InChIKey
OODDZQQDDOVCFD-SCLBCKFNSA-N- Molecular formula
- C19H21N3O2
- Average molar mass
- 323.4 g/mol
Names & identifiers
- Preferred name
- FR-234938
- IUPAC
- 1-[(3R,4S)-4-hydroxy-1-naphthalen-1-ylpentan-3-yl]imidazole-4-carboxamide
- English name
- FR-234938
- Molecular formula
- C19H21N3O2
- Molecular weight
- 323.39
Names & synonyms
FR-234938256461-79-71H-Imidazole-4-carboxamide, 1-((1R,2S)-2-hydroxy-1-(2-(1-naphthalenyl)ethyl)propyl)-10302WQ21V(+)-FR-2349381-((3R,4S)-4-hydroxy-1-(naphthalen-1-yl)pentan-3-yl)-1H-imidazole-4-carboxamide1-[(3R,4S)-4-hydroxy-1-(naphthalen-1-yl)pentan-3-yl]-1H-imidazole-4-carboxamide1H-Imidazole-4-carboxamide, 1-[(1R,2S)-2-hydroxy-1-[2-(1-naphthalenyl)ethyl]propyl]-RefChem:600379UNII-10302WQ21VFR234938CHEMBL93560
Show more names
1-[(3R,4S)-4-hydroxy-1-naphthalen-1-ylpentan-3-yl]imidazole-4-carboxamide1-[(1R,2S)-2-hydroxy-1-(2-naphthalen-1-ylethyl)propyl]-1H-imidazole-4-carboxamide1-{(1R,2S)-2-HYDROXY-1-[2-(1-NAPHTHYL)ETHYL]PROPYL}-1H-IMIDAZOLE-4-CARBOXAMIDEFR233623OODDZQQDDOVCFD-SCLBCKFNSA-N2e1worb1700546SCHEMBL6172027
Database identifiers
- CAS
256461-79-7- PubChem CID
- 449013
- ChEMBL
CHEMBL93560- UNII
- 10302WQ21V
- Nikkaji
- J2.424.185H
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 431
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 65 · 65-70 °C
- Boiling point
- 654.6 · 654.6±55.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 14.56 · 14.56±0.20(Predicted)
- FDA UNII
- 10302 WQ21V · 10302WQ21V
Chemistry & industry
Applications
UsesFR234938 is a non-nucleoside adenosine deaminase inhibitor with an IC50 of 17 nM for recombinant human adenosine deaminase enzyme. FR234938 has anti-rheumatic and anti-inflammatory effects[1].
Suppliers4 total
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [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]
Related reactions
1 records
Compound notes
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