Basic information
- CAS
805241-79-6- Standard SMILES
CC(C)c1c(C(=O)Nc2ccc(CO)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O- InChIKey
PMFRPLBQEYHUMG-VSGBNLITSA-N- Molecular formula
- C34H37FN2O6
- Average molar mass
- 588.7 g/mol
- Monoisotopic mass
- 588.26356507
Names & identifiers
- Preferred name
- Bemfivastatin
- IUPAC
- (3R,5R)-7-[2-(4-fluorophenyl)-4-[[4-(hydroxymethyl)phenyl]carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
- English name
- 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-4-[[[4-(hydroxymethyl)phenyl]amino]carbonyl]-5-(1-methylethyl)-3-phenyl-, (βR,δR)-
- Molecular formula
- C34H37FN2O6
- Molecular weight
- 588.67
Names & synonyms
Bemfivastatin805241-79-6PPD10558RBX-10558PPD-10558BemfivastatinaBemfivastatinebemfivastatin [INN]SCHEMBL517400orb1699606CHEMBL5314505AKOS040749228
Show more names
RBx10558RBx 10558PPD 105581H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-4-[[[4-(hydroxymethyl)phenyl]amino]carbonyl]-5-(1-methylethyl)-3-phenyl-, (βR,δR)-
HY-106281CS-0025506T28440Q27896279(3R,5R)-7-(2-(4-Fluorophenyl)-4-((4-(hydroxymethyl)phenyl)carbamoyl)-5-isopropyl-3-phenyl-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoic acid(3R,5R)-7-(2-(4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-(((4-HYDROXYMETHYLPHENYL)AMINO)CARBONYL)PYRROL-1-YL)-3,5-DIHYDROXYHEPTANOIC ACID(3R,5R)-7-[2-(4-fluorophenyl)-4-[[4-(hydroxymethyl)phenyl]carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid1H-PYRROLE-1-HEPTANOIC ACID, 2-(4-FLUOROPHENYL)-.BETA.,.DELTA.-DIHYDROXY-4-(((4-(HYDROXYMETHYL)PHENYL)AMINO)CARBONYL)-5-(1-METHYLETHYL)-3-PHENYL-, (.BETA.R,.DELTA.R)-
Database identifiers
- CAS
805241-79-6- PubChem CID
- 11192585
- ChEMBL
CHEMBL5314505- UNII
- F47K281Y9S
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 869
Physicochemical properties
- Boiling point
- 769.1 · 769.1±60.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 4.29 · 4.29±0.10(Predicted)
- form
- Solid
- color
- White to off-white
- FDA UNII
- 47 K281Y9S · F47K281Y9S
Chemistry & industry
Applications
UsesBemfivastatin (PPD 10558) is an orally active, HMG-CoA Reductase (HMGCR) inhibitor, also known as Statin. Bemfivastatin enhances the activity of liver extraction. Bemfivastatin exhibits little developmental toxicity effects in pregnant rats and rabbits via daily oral doses during organogenesis period. The no observed adverse effect level (NOAEL) are ≥320mg/kg/day for rats developmental toxicity, 12.5mg/kg/day for rabbits maternal toxicity, and 25mg/kg/day for rabbits developmental toxicity, respectively. Bemfivastatin can be used for research on Statin-related hypercholesterolemic myalgia with inability to tolerate statins[1][2].
Suppliers4 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…