ChemSpider 2D Image | Lonafarnib | C27H31Br2ClN4O2

Lonafarnib

  • Molecular FormulaC27H31Br2ClN4O2
  • Average mass638.822 Da
  • Monoisotopic mass636.050232 Da
  • ChemSpider ID130645
  • defined stereocentres - 1 of 1 defined stereocentres


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

193275-84-2 [RN]
1-Piperidinecarboxamide, 4-[2-[4-[(11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-1-piperidinyl]-2-oxoethyl]- [ACD/Index Name]
4-(2-{4-[(11R)-3,10-Dibrom-8-chlor-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-1-piperidinyl}-2-oxoethyl)-1-piperidincarboxamid [German] [ACD/IUPAC Name]
4-(2-{4-[(11R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-1-piperidinyl}-2-oxoethyl)-1-piperidinecarboxamide [ACD/IUPAC Name]
4-(2-{4-[(11R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-1-pipéridinyl}-2-oxoéthyl)-1-pipéridinecarboxamide [French] [ACD/IUPAC Name]
8191
IOW153004F
lonafarnib [Spanish] [INN]
Lonafarnib [French] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

SCH 66336 [DBID]
NSC719467 [DBID]
SCH-66336 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Chemical Class:

      A 4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5<element>H</element>-benzo[5,6]cyclohepta[1,2-<ital>b</ital>]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide that has <stereo>R</stereo > configuration. It is used as oral farnesyltransferase inhibitor. ChEBI CHEBI:47097
    • Bio Activity:

      Enzymes Tocris Bioscience 6265
      Farnesyl Transferase MedChem Express HY-15136
      Lonafarnib(Sch66336) is an orally bioavailable FPTase inhibitor for H-ras, K-ras-4B and N-ras with IC50 of 1.9 nM, 5.2 nM and 2.8 nM, respectively. MedChem Express
      Lonafarnib(Sch66336) is an orally bioavailable FPTase inhibitor for H-ras, K-ras-4B and N-ras with IC50 of 1.9 nM, 5.2 nM and 2.8 nM, respectively.; IC50 value:; Target: farnesyl transferase; Ras proteins participate in numerous signalling pathways (proliferation, cytoskeletal organization), and play an important role in oncogenesis. MedChem Express HY-15136
      Lonafarnib(Sch66336) is an orally bioavailable FPTase inhibitor for H-ras, K-ras-4B and N-ras with IC50 of 1.9 nM, 5.2 nM and 2.8 nM, respectively.;IC50 value:;Target: farnesyl transferaseRas proteins participate in numerous signalling pathways (proliferation, cytoskeletal organization), and play an important role in oncogenesis. Mutated ras proteins have been found in a wide range of human cancers. MedChem Express HY-15136
      Metabolic Enzyme/Protease; MedChem Express HY-15136
      Others MedChem Express HY-15136
      Potent farnesyl transferase inhibitor Tocris Bioscience 6265
      Potent farnesyl transferase inhibitor (IC50 = 1.9 nM). Inhibits farnesylation of RAS. Also inhibits Pgp transport (IC50 < 3 muM) and increases potency and anticancer activity when used in conjunction with cytotoxic Pgp substrates. Inhibits neovascularization by affecting cell motility. Orally bioavailable. Tocris Bioscience 6265
      Protein Prenyltransferases Tocris Bioscience 6265
      Transferases Tocris Bioscience 6265

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

Density: 1.5±0.1 g/cm3
Boiling Point: 710.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 383.5±35.7 °C
Index of Refraction: 1.630
Molar Refractivity: 148.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5246.86
ACD/KOC (pH 5.5): 16001.20
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5252.91
ACD/KOC (pH 7.4): 16019.64
Polar Surface Area: 80 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 415.7±3.0 cm3

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