ChemSpider 2D Image | Lomitapide | C39H37F6N3O2

Lomitapide

  • Molecular FormulaC39H37F6N3O2
  • Average mass693.720 Da
  • Monoisotopic mass693.278992 Da
  • ChemSpider ID8028764

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182431-12-5 [RN]
82KUB0583F
9120
9H-Fluorene-9-carboxamide, N-(2,2,2-trifluoroethyl)-9-[4-[4-[[[4'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]carbonyl]amino]-1-piperidinyl]butyl]- [ACD/Index Name]
lomitapida [Spanish] [INN]
lomitapide [French] [INN]
lomitapidum [Latin] [INN]
N-(2,2,2-Trifluorethyl)-9-{4-[4-({[4'-(trifluormethyl)-2-biphenylyl]carbonyl}amino)-1-piperidinyl]butyl}-9H-fluoren-9-carboxamid [German] [ACD/IUPAC Name]
N-(2,2,2-Trifluoroethyl)-9-{4-[4-({[4'-(trifluoromethyl)-2-biphenylyl]carbonyl}amino)-1-piperidinyl]butyl}-9H-fluorene-9-carboxamide [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AEGR-733 [DBID]
BMS-201038 [DBID]
BMS-201038-01 [DBID]
AEGR 733 [DBID]
BMS 201038 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      C10AX12 Wikidata Q1268941
    • Chemical Class:

      A member of the class of benzamides obtained by formal condensation of the carboxy group of 4'-(trifluoromethyl)biphenyl-2-carboxylic acid with the primary amino group of 9-[4-(4-aminopiperidin-1-yl)b utyl]-<element>N</element>-(2,2,2-trifluoroethyl)-9<element>H</element>-fluorene-9-carboxamide. Used (as its mesylate salt) as a complement to a low-fat diet and other lipid-lowering treatments in pat ients with homozygous familial hypercholesterolemia. ChEBI CHEBI:72297
    • Bio Activity:

      Lomitapide(AEGR-733; BMS-201038) is an inhibitor of microsomal triglyceride-transfer protein (MTP) wtih in vitro IC50 of 8 nM. MedChem Express
      Lomitapide(AEGR-733; BMS-201038) is an inhibitor of microsomal triglyceride-transfer protein (MTP) wtih in vitro IC50 of 8 nM.; IC50 value: 8 nM [1]; Target: MTP inhibitor; Lomitapide is a small-molecule, microsomal triglyceride transfer protein (MTP) inhibitor, for the treatment of both familial and primary hypercholesterolemia. MedChem Express HY-14667
      Lomitapide(AEGR-733; BMS-201038) is an inhibitor of microsomal triglyceride-transfer protein (MTP) wtih in vitro IC50 of 8 nM.;IC50 value: 8 nM [1];Target: MTP inhibitorLomitapide is a small-molecule, microsomal triglyceride transfer protein (MTP) inhibitor, for the treatment of both familial and primary hypercholesterolemia. Oral, once-daily lomitapide will be targeted at patients resistant to HMG-CoA reductase inhibitors (statins) either due to abnormalities in liver function or to discontinuation because of muscle pain. MedChem Express HY-14667
      Others MedChem Express HY-14667

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 778.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 424.4±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 178.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.78
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 296.67
ACD/KOC (pH 5.5): 297.86
ACD/LogD (pH 7.4): 5.86
ACD/BCF (pH 7.4): 7065.37
ACD/KOC (pH 7.4): 7093.64
Polar Surface Area: 61 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 517.3±5.0 cm3

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