ChemSpider 2D Image | Anacetrapib | C30H25F10NO3

Anacetrapib

  • Molecular FormulaC30H25F10NO3
  • Average mass637.508 Da
  • Monoisotopic mass637.167480 Da
  • ChemSpider ID9731205

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
The Merck Index Online

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4S,5R)-5-[3,5-Bis(trifluormethyl)phenyl]-3-{[4'-fluor-5'-isopropyl-2'-methoxy-4-(trifluormethyl)-2-biphenylyl]methyl}-4-methyl-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-2'-methoxy-5'-(propan-2-yl)-4-(trifluoromethyl)-[1,1'-biphenyl]-2-yl]methyl}-4-methyl-1,3-oxazolidin-2-one
(4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)-2-biphenylyl]methyl}-4-methyl-1,3-oxazolidin-2-one [ACD/IUPAC Name]
(4S,5R)-5-[3,5-Bis(trifluorométhyl)phényl]-3-{[4'-fluoro-5'-isopropyl-2'-méthoxy-4-(trifluorométhyl)-2-biphénylyl]méthyl}-4-méthyl-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
2-Oxazolidinone, 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[4'-fluoro-2'-methoxy-5'-(1-methylethyl)-4-(trifluoromethyl)[1,1'-biphenyl]-2-yl]methyl]-4-methyl-, (4S,5R)- [ACD/Index Name]
875446-37-0 [RN]
anacetrapib [Spanish] [INN]
Anacetrapib [INN] [USAN]
anacétrapib [French] [INN]
anacetrapibum [Latin] [INN]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8926 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      ; MedChem Express HY-12090
      Anacetrapib (MK0859) is a potent, selective, reversible rhCETP and mutant CETP(C13S) inhibitor with IC50 of 7.9 nM and 11.8 nM, increases HDL-C and decreases LDL-C, does not increase aldosterone or bl ood pressure. MedChem Express
      Anacetrapib (MK0859) is a potent, selective, reversible rhCETP and mutant CETP(C13S) inhibitor with IC50 of 7.9 nM and 11.8 nM, increases HDL-C and decreases LDL-C, does not increase aldosterone or blood pressure.; IC50 value: 7.9 nM/11.8 nM(rhCETP/CETP(C13S)) [1]; Target: CETP; in vitro: Anacetrapib is not only able to increase HDL-cholesterol, but also further decreases LDL-cholesterol when taken in combination with a statin. MedChem Express HY-12090
      CETP MedChem Express HY-12090
      Others MedChem Express HY-12090

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 555.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 289.6±30.1 °C
Index of Refraction: 1.494
Molar Refractivity: 137.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.81
ACD/LogD (pH 5.5): 8.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 829758.13
ACD/LogD (pH 7.4): 8.35
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 829758.13
Polar Surface Area: 39 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 33.1±3.0 dyne/cm
Molar Volume: 473.9±3.0 cm3

Click to predict properties on the Chemicalize site


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