ChemSpider 2D Image | DMP-777 | C31H40N4O6

DMP-777

  • Molecular FormulaC31H40N4O6
  • Average mass564.672 Da
  • Monoisotopic mass564.294800 Da
  • ChemSpider ID154946

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-N-[(1R)-1-(1,3-Benzodioxol-5-yl)butyl]-3,3-diethyl-2-{4-[(4-methyl-1-piperazinyl)carbonyl]phenoxy}-4-oxo-1-azetidincarboxamid [German] [ACD/IUPAC Name]
(2S)-N-[(1R)-1-(1,3-Benzodioxol-5-yl)butyl]-3,3-diethyl-2-{4-[(4-methyl-1-piperazinyl)carbonyl]phenoxy}-4-oxo-1-azetidinecarboxamide [ACD/IUPAC Name]
(2S)-N-[(1R)-1-(1,3-Benzodioxol-5-yl)butyl]-3,3-diéthyl-2-{4-[(4-méthyl-1-pipérazinyl)carbonyl]phénoxy}-4-oxo-1-azétidinecarboxamide [French] [ACD/IUPAC Name]
(2S)-N-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]-3,3-diethyl-2-{4-[(4-methylpiperazin-1-yl)carbonyl]phenoxy}-4-oxoazetidine-1-carboxamide
(2S)-N-[(1R)-1-(2H-1,3-BENZODIOXOL-5-YL)BUTYL]-3,3-DIETHYL-2-[4-(4-METHYLPIPERAZINE-1-CARBONYL)PHENOXY]-4-OXOAZETIDINE-1-CARBOXAMIDE
157341-41-8 [RN]
1-Azetidinecarboxamide, N-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]-3,3-diethyl-2-[4-[(4-methyl-1-piperazinyl)carbonyl]phenoxy]-4-oxo-, (2S)- [ACD/Index Name]
3Q0469283P
DMP-777
(2S)-N-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]-3,3-diethyl-2-[4-(4-methylpiperazin-1-yl)carbonylphenoxy]-4-oxo-azetidine-1-carboxamide
More...

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

DMP 777 [DBID]
L 694458 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      DMP 777(L-694458) is a potent, selective, and orally active human leukocyte elastase (HLE) inhibitor. MedChem Express
      DMP 777(L-694458) is a potent, selective, and orally active human leukocyte elastase (HLE) inhibitor.; IC50 value:; Target: elastase; After iv dosing, L-694,458 exhibited similar pharmacokinetic parameters in rats and rhesus monkeys. MedChem Express HY-75957
      DMP 777(L-694458) is a potent, selective, and orally active human leukocyte elastase (HLE) inhibitor.;IC50 value:;Target: elastaseAfter iv dosing, L-694,458 exhibited similar pharmacokinetic parameters in rats and rhesus monkeys. The bioavailability of a 10 mg/kg oral dose was higher in rats (65%) than in rhesus monkeys (39%). In both species, concentrations of L-694,458 in plasma increased more than proportionally when the oral dose was increased from 10 mg/kg to 40 mg/kg. In monkeys a protracted plasma concentration-time profile was observed at 40 mg/kg, characterized by a delayed T(max) (8-24 hr) and a long terminal half-life (6 hr). DMP-777 dissipated a gastric tubulovesicle proton gradient without impairing the H/K-ATPase activity, consistent with its pharmacological action as a parietal cell-specific protonophore which could induce parietal cell necrosis through backwash of luminal acid into actively secreting cells. MedChem Express HY-75957
      Elastase MedChem Express HY-75957
      Metabolism/Protease MedChem Express HY-75957
      Metabolism/Protease; MedChem Express HY-75957

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.582
Molar Refractivity: 153.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 7.19
ACD/KOC (pH 5.5): 62.19
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 109.48
ACD/KOC (pH 7.4): 946.80
Polar Surface Area: 101 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 460.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement