ChemSpider 2D Image | SDZ NKT 343 | C33H33N5O5

SDZ NKT 343

  • Molecular FormulaC33H33N5O5
  • Average mass579.646 Da
  • Monoisotopic mass579.248169 Da
  • ChemSpider ID8026924

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-N2-[(2S)-1-[Benzyl(methyl)amino]-3-(2-naphthyl)-1-oxopropan-2-yl]-N1-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide (non-preferred name)
(2S)-N2-[(2S)-1-[benzyl(methyl)amino]-3-(naphthalen-2-yl)-1-oxopropan-2-yl]-N1-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide (non-preferred name)
(S)-N2-((S)-1-(benzyl(methyl)amino)-3-(naphthalen-2-yl)-1-oxopropan-2-yl)-N1-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
1-[(2-Nitrophenyl)carbamoyl]-L-prolyl-N-benzyl-N-methyl-3-(2-naphthyl)-L-alaninamid [German] [ACD/IUPAC Name]
1-[(2-Nitrophenyl)carbamoyl]-L-prolyl-N-benzyl-N-methyl-3-(2-naphthyl)-L-alaninamide [ACD/IUPAC Name]
1-[(2-Nitrophényl)carbamoyl]-L-prolyl-N-benzyl-N-méthyl-3-(2-naphtyl)-L-alaninamide [French] [ACD/IUPAC Name]
180046-99-5 [RN]
L-Alaninamide, 1-[[(2-nitrophenyl)amino]carbonyl]-L-prolyl-N-methyl-3-(2-naphthalenyl)-N-(phenylmethyl)- [ACD/Index Name]
SDZ NKT 343
(S)-Pyrrolidine-1,2-dicarboxylic acid 2-{[(S)-1-(benzyl-methyl-carbamoyl)-2-naphthalen-2-yl-ethyl]-amide} 1-[(2-nitro-phenyl)-amide]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 2394
      Highly selective human tachykinin NK1 receptor antagonist (IC50 values are 0.62 and 451 nM for human and rat receptors respectively) that displays > 130-fold selectivity over human NK2 and NK3 recepto rs. Potently antagonizes SP-induced Ca2+ efflux in vitro and inhibits mechanical hyperalgesia in vivo. Tocris Bioscience 2394
      Highly selective human tachykinin NK1 receptor antagonist (IC50 values are 0.62 and 451 nM for human and rat receptors respectively) that displays > 130-fold selectivity over human NK2 and NK3 receptors. Potently antagonizes SP-induced Ca2+ efflux in vitro and inhibits mechanical hyperalgesia in vivo. Tocris Bioscience 2394
      Highly selective, human NK1 antagonist Tocris Bioscience 2394
      Peptide Receptors Tocris Bioscience 2394
      Tachykinin Receptors Tocris Bioscience 2394

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

Density: 1.3±0.1 g/cm3
Boiling Point: 892.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.8±3.0 kJ/mol
Flash Point: 493.8±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 164.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 4553.72
ACD/KOC (pH 5.5): 14462.79
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4553.46
ACD/KOC (pH 7.4): 14461.93
Polar Surface Area: 128 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 66.2±3.0 dyne/cm
Molar Volume: 436.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement