ChemSpider 2D Image | Meclinertant | C32H31ClN4O5

Meclinertant

  • Molecular FormulaC32H31ClN4O5
  • Average mass587.065 Da
  • Monoisotopic mass586.198303 Da
  • ChemSpider ID106480

More details:

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

146362-70-1 [RN]
2-({[1-(7-Chlor-4-chinolinyl)-5-(2,6-dimethoxyphenyl)-1H-pyrazol-3-yl]carbonyl}amino)-2-adamantancarbonsäure [German] [ACD/IUPAC Name]
2-({[1-(7-Chloro-4-quinolinyl)-5-(2,6-dimethoxyphenyl)-1H-pyrazol-3-yl]carbonyl}amino)-2-adamantanecarboxylic acid [ACD/IUPAC Name]
2-({[1-(7-Chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)-1H-pyrazol-3-yl]carbonyl}amino)adamantane-2-carboxylic acid
2-[[[1-(7-Chloro-4-quinolinyl)-5-(2,6-dimethoxyphenyl)-1H-pyrazol-3-yl]carbonyl]amino]-tricyclo[3.3.1.13,7]decane-2-carboxylic acid
Acide 2-({[1-(7-chloro-4-quinoléinyl)-5-(2,6-diméthoxyphényl)-1H-pyrazol-3-yl]carbonyl}amino)-2-adamantanecarboxylique [French] [ACD/IUPAC Name]
Meclinertant [Wiki]
SR48692
Tricyclo[3.3.1.13,7]decane-2-carboxylic acid, 2-[[[1-(7-chloro-4-quinolinyl)-5-(2,6-dimethoxyphenyl)-1H-pyrazol-3-yl]carbonyl]amino]- [ACD/Index Name]
UNII-5JBP4SI96H
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

SR 48692 [DBID]
SR-48692 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 3721
      Neurotensin antagonist; selective for NTS1 over NTS2 (apparent affinity, Ke, is 36 nM for NTS1). Competitively inhibits binding of [125I]-neurotensin to HT29 and N1E115 cell membranes (IC50 values are 15.3 and 20.4 nM respectively). Orally bioavailable. Tocris Bioscience 3721
      Neurotensin antagonist; selective for NTS1 over NTS2 (apparent affinity, Ke, is 36 nM for NTS1). Competitively inhibits binding of [125I]-neurotensin to HT29 and N1E115 cell membranes (IC50 values are 15.3 and 20.4 nM respectively). Orally bioavailable. Tocris Bioscience 3721
      Neurotensin Receptors Tocris Bioscience 3721
      Peptide Receptors Tocris Bioscience 3721
      Selective non-peptide NTS1 antagonist Tocris Bioscience 3721

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

Density: 1.5±0.1 g/cm3
Boiling Point: 781.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.2±3.0 kJ/mol
Flash Point: 426.2±32.9 °C
Index of Refraction: 1.729
Molar Refractivity: 155.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 9.90
ACD/KOC (pH 5.5): 43.49
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.67
Polar Surface Area: 116 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 59.7±7.0 dyne/cm
Molar Volume: 389.8±7.0 cm3

Click to predict properties on the Chemicalize site


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