Friluglanstat
Basic information
- CAS
1422203-86-8- Standard SMILES
COCc1nc2c(C(=O)Nc3cccc(Cl)c3C)cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1- InChIKey
ZPONWJXTHMDOSV-UHFFFAOYSA-N- Molecular formula
- C25H20ClF3N4O3
- Average molar mass
- 516.9 g/mol
- Monoisotopic mass
- 516.1176027
Overview
Friluglanstat is a small molecule drug. The usage of the INN stem '-glanstat' in the name indicates that Friluglanstat is a prostaglandin synthase inhibitor. Friluglanstat has a monoisotopic molecular weight of 516.12 Da.
Names & identifiers
- Preferred name
- Friluglanstat
- IUPAC
- N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
- English name
- Friluglanstat
- Molecular formula
- C25H20ClF3N4O3
- Molecular weight
- 516.9
Names & synonyms
Friluglanstat1422203-86-8NS-580 FREE BASEN-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamideFriluglanstat [INN]L65P4UM6KVorb2277628CHEMBL3934885SCHEMBL14712770SCHEMBL29713250GTPL12888BDBM197412
Show more names
1H-Benzimidazole-7-carboxamide, N-(3-chloro-2-methylphenyl)-2-(methoxymethyl)-5-[[2-(trifluoromethyl)benzoyl]amino]-
EX-A17421example 11 [US9216968B2]DA-73558N-(3-Chloro-2-methylphenyl)2-(methoxymethyl)6-(2-trifluoromethylbenzoylamino)-1H-benzoimidazole-4-carboxamideHY-156612CS-0886140T79846US9216968, 11
Database identifiers
- CAS
1422203-86-8- PubChem CID
- 71267445
- ChEMBL
CHEMBL3934885- UNII
- L65P4UM6KV
- Nikkaji
- J3.567.875A
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 788
Physicochemical properties
- Boiling point
- 570.055 · 570.055±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.461 · 1.461±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.262 · 10.262±0.10(predicted)
Chemistry & industry
Applications
UsesFriluglanstat is a prostaglandin E synthase (mPGES-1) inhibitor, with anti-inflammatory activity[1].
Related reactions
3 records
Compound notes
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