3,4-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
Basic information
- CAS
862811-76-5- Standard SMILES
Cc1c(-c2cccc(NC(=O)c3ccc(F)c(F)c3)c2)nc2ncccn12- InChIKey
YOVZCQZBMAXLPR-UHFFFAOYSA-N- Molecular formula
- C20H14F2N4O
- Average molar mass
- 364.3 g/mol
- Monoisotopic mass
- 364.11356741
Names & identifiers
- Preferred name
- 3,4-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
- IUPAC
- 3,4-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
- English name
- Benzamide, 3,4-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-
- Molecular formula
- C20H14F2N4O
- Molecular weight
- 364.35
Names & synonyms
NCGC00135472862811-76-5DRV1 (GPR32) agonist C2A3,4-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide3,4-difluoro-N-(3-{3-methylimidazo[1,2-a]pyrimidin-2-yl}phenyl)benzamide3,4-difluoro-N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)benzamideF0657-0476orb1695945CHEMBL1402124GLXC-20386HMS1901G06MJB81176
Show more names
Benzamide, 3,4-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-
AKOS024593680NCGC00135472-01TS-08768HY-125020CS-0088616T33613G856-0417
Database identifiers
- CAS
862811-76-5- PubChem CID
- 7080326
- ChEMBL
CHEMBL1402124
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 536
Physicochemical properties
- storage temp.
- room temp
- solubility
- 2 mg/mL, · DMSO: 2mg/mL, clear
- form
- powder
- color
- white to beige
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
Chemistry & industry
Applications
DescriptionNCGC00135472 is an gonist for human Resolvin D1 Receptor DRV1 with pro-resolving functions.
UsesNCGC00135472 is a potent agonist of resolvin D1 receptor (DRV1), with the EC50 of 0.37 nM and 0.05 μM for β-arrestin and cAMP activities, respectively[1].
Related reactions
0 records
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Compound notes
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