ChemSpider 2D Image | LB42708 | C30H27BrN4O2

LB42708

  • Molecular FormulaC30H27BrN4O2
  • Average mass555.465 Da
  • Monoisotopic mass554.131714 Da
  • ChemSpider ID8274740

More details:

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

[1-{[1-(4-Brombenzyl)-1H-imidazol-5-yl]methyl}-4-(1-naphthyl)-1H-pyrrol-3-yl](4-morpholinyl)methanon [German] [ACD/IUPAC Name]
[1-{[1-(4-Bromobenzyl)-1H-imidazol-5-yl]methyl}-4-(1-naphthyl)-1H-pyrrol-3-yl](4-morpholinyl)methanone [ACD/IUPAC Name]
[1-{[1-(4-Bromobenzyl)-1H-imidazol-5-yl]méthyl}-4-(1-naphtyl)-1H-pyrrol-3-yl](4-morpholinyl)méthanone [French] [ACD/IUPAC Name]
226929-39-1 [RN]
33089-61-1 [RN]
4-[1-({1-[(4-BROMOPHENYL)METHYL]-1H-IMIDAZOL-5-YL}METHYL)-4-(NAPHTHALEN-1-YL)-1H-PYRROLE-3-CARBONYL]MORPHOLINE
4-[1-({3-[(4-BROMOPHENYL)METHYL]IMIDAZOL-4-YL}METHYL)-4-(NAPHTHALEN-1-YL)PYRROLE-3-CARBONYL]MORPHOLINE
LB 42708
LB42708
Methanone, [1-[[1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl]methyl]-4-(1-naphthalenyl)-1H-pyrrol-3-yl]-4-morpholinyl- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      Transferase inhibitor TargetMol T2678

    • Bio Activity:

      Enzymes Tocris Bioscience 4294
      FTase (H-ras;N-ras; K-ras) TargetMol T2678
      Metabolism TargetMol T2678
      Protein Prenyltransferases Tocris Bioscience 4294
      Selective farnesyltransferase (FTase) inhibitor Tocris Bioscience 4294
      Selective inhibitor of farnesyltransferase (FTase). Blocks farnesylation of H-Ras, N-Ras and K-Ras4B (IC50 values are 0.8, 1.2 and 2.0 nM respectively). Displays >50,000-fold selectivity for FTase ove r geranylgeranyltransferase (GGTase) I. Inhibits VEGF-induced Ras activation; suppresses angiogenesis in vivo and in vitro (IC50 = 75 nM). Orally active. Tocris Bioscience 4294
      Selective inhibitor of farnesyltransferase (FTase). Blocks farnesylation of H-Ras, N-Ras and K-Ras4B (IC50 values are 0.8, 1.2 and 2.0 nM respectively). Displays >50,000-fold selectivity for FTase over geranylgeranyltransferase (GGTase) I. Inhibits VEGF-induced Ras activation; suppresses angiogenesis in vivo and in vitro (IC50 = 75 nM). Orally active. Tocris Bioscience 4294
      Transferases Tocris Bioscience 4294

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

Density: 1.4±0.1 g/cm3
Boiling Point: 769.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 419.2±32.9 °C
Index of Refraction: 1.681
Molar Refractivity: 150.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 628.11
ACD/KOC (pH 5.5): 2695.94
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1548.65
ACD/KOC (pH 7.4): 6647.02
Polar Surface Area: 52 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 397.2±7.0 cm3

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