ChemSpider 2D Image | PD 176252 | C32H36N6O5

PD 176252

  • Molecular FormulaC32H36N6O5
  • Average mass584.665 Da
  • Monoisotopic mass584.274719 Da
  • ChemSpider ID8005563

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Indole-3-propanamide, N-[[1-(5-methoxy-2-pyridinyl)cyclohexyl]methyl]-α-methyl-α-[[[(4-nitrophenyl)amino]carbonyl]amino]-, (αS)- [ACD/Index Name]
204067-01-6 [RN]
JT21Y57650
N-{[1-(5-Methoxy-2-pyridinyl)cyclohexyl]methyl}-α-methyl-Nα-[(4-nitrophenyl)carbamoyl]-L-tryptophanamid [German] [ACD/IUPAC Name]
N-{[1-(5-Methoxy-2-pyridinyl)cyclohexyl]methyl}-α-methyl-Nα-[(4-nitrophenyl)carbamoyl]-L-tryptophanamide [ACD/IUPAC Name]
N-{[1-(5-Méthoxy-2-pyridinyl)cyclohexyl]méthyl}-α-méthyl-Nα-[(4-nitrophényl)carbamoyl]-L-tryptophaneamide [French] [ACD/IUPAC Name]
N-{[1-(5-Methoxypyridin-2-yl)cyclohexyl]methyl}-α-methyl-Nα-[(4-nitrophenyl)carbamoyl]-L-tryptophanamide
PD 176252
PD-176252
(2S)-3-(1H-indol-3-yl)-N-[[1-(5-methoxy-2-pyridyl)cyclohexyl]methyl]-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 2602
      Bombesin Receptors Tocris Bioscience 2602
      GRP (BB2) and NMB (BB1) receptor antagonist Tocris Bioscience 2602
      Non-peptide gastrin-releasing peptide receptor (GRP-R, BB2) and neuromedin B receptor (NMB-R, BB1) antagonist (Ki values are 0.17 and 1.0 nM for BB1 and BB2 respectively). Inhibits proliferation of ra t C6 glioma cells (IC50 = 2 ?M) and inhibits NCI-H1299 xenograft proliferation in nude mice (IC50 = 5 ?M). Tocris Bioscience 2602
      Non-peptide gastrin-releasing peptide receptor (GRP-R, BB2) and neuromedin B receptor (NMB-R, BB1) antagonist (Ki values are 0.17 and 1.0 nM for BB1 and BB2 respectively). Inhibits proliferation of rat C6 glioma cells (IC50 = 2 ?M) and inhibits NCI-H1299 xenograft proliferation in nude mice (IC50 = 5 ?M). Tocris Bioscience 2602
      Non-peptide gastrin-releasing peptide receptor (GRP-R, BB2) and neuromedin B receptor (NMB-R, BB1) antagonist (Ki values are 0.17 and 1.0 nM for BB1 and BB2 respectively). Inhibits proliferation of rat C6 glioma cells (IC50 = 2 muM) and inhibits NCI-H1299 xenograft proliferation in nude mice (IC50 = 5 muM). Tocris Bioscience 2602
      Peptide Receptors Tocris Bioscience 2602

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

Density: 1.3±0.1 g/cm3
Boiling Point: 838.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.9±3.0 kJ/mol
Flash Point: 461.1±34.3 °C
Index of Refraction: 1.650
Molar Refractivity: 164.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 4829.26
ACD/KOC (pH 5.5): 14543.14
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5469.28
ACD/KOC (pH 7.4): 16470.55
Polar Surface Area: 154 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 450.6±3.0 cm3

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