ChemSpider 2D Image | A922500 | C26H24N2O4

A922500

  • Molecular FormulaC26H24N2O4
  • Average mass428.480 Da
  • Monoisotopic mass428.173615 Da
  • ChemSpider ID23309907
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,2R)-2-({4'-[(Phenylcarbamoyl)amino]-4-biphenylyl}carbonyl)cyclopentancarbonsäure [German] [ACD/IUPAC Name]
(1R,2R)-2-({4'-[(Phenylcarbamoyl)amino]-4-biphenylyl}carbonyl)cyclopentanecarboxylic acid [ACD/IUPAC Name]
(1R,2R)-2-({4'-[(Phenylcarbamoyl)amino]biphenyl-4-yl}carbonyl)cyclopentanecarboxylic acid
(1R,2R)-2-[[4′-[[(Phenylamino)carbonyl]amino][1,1′-biphenyl]-4-yl]carbonyl]cyclopentanecarboxylic acid
959122-11-3 [RN]
A922500
A-922500
Acide (1R,2R)-2-({4'-[(phénylcarbamoyl)amino]-4-biphénylyl}carbonyl)cyclopentanecarboxylique [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 2-[[4'-[[(phenylamino)carbonyl]amino][1,1'-biphenyl]-4-yl]carbonyl]-, (1R,2R)- [ACD/Index Name]
(1R,2R)-2-({4'-[(anilinocarbonyl)amino]-1,1'-biphenyl-4-yl}carbonyl)cyclopentanecarboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

44698M475X [DBID]
UNII:44698M475X [DBID]
UNII-44698M475X [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 2059
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 2059
      no pictogram Axon Medchem 2059
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 2059
      Warning Axon Medchem 2059
    • Bio Activity:

      coe; in vivo: Zucker fatty rats and diet-induced dyslipidemic hamsters were dosed orally with A-922500 (0.03, 0.3, and 3-mg/kg), a potent and selective DGAT-1 inhibitor, for 14 days. MedChem Express HY-10038
      coe;In vivo: Zucker fatty rats and diet-induced dyslipidemic hamsters were dosed orally with A-922500 (0.03, 0.3, and 3-mg/kg), a potent and selective DGAT-1 inhibitor, for 14 days. Serum triglycerides were significantly reduced by the 3 mg/kg dose of the DGAT-1 inhibitor in both the Zucker fatty rat (39%) and hyperlipidemic hamster (53%) [1]. A 922500 confers weight loss and a reduction in liver triglycerides when dosed chronically in DIO mice and depletes serum triglycerides following a lipid challenge in a dose-dependent manner, thus, reproducing major phenotypical characteristics of DGAT-1(-/-) mice [2]. The potent and selective DGAT-1 inhibitorA-922500 (0.03, 0.3 and 3 mg/kg, p.o.), dose-dependently attenuated the maximal postprandial rise in serum triglyceride concentrations in all species tested. At the highest dose of DGAT-1 inhibitor, the postprandial triglyceride response was abolished [3].Clinical trial: MedChem Express HY-10038
      DGAT MedChem Express HY-10038
      Diacylglycerol acyltransferase 1 (DGAT-1) inhibitor (IC50 values are 7 and 24 nM at human and mouse DGAT-1 respectively) that is devoid of activity at DGAT-2, ACAT1 or ACAT2. Induces significant weigh t loss without altering food intake, and decreases liver and plasma triglyceride levels in vivo. Orally active. Tocris Bioscience 3587
      Diacylglycerol acyltransferase 1 (DGAT-1) inhibitor (IC50 values are 7 and 24 nM at human and mouse DGAT-1 respectively) that is devoid of activity at DGAT-2, ACAT1 or ACAT2. Induces significant weight loss without altering food intake, and decreases liver and plasma triglyceride levels in vivo. Orally active. Tocris Bioscience 3587
      Diacylglycerol O-Acyltransferase Tocris Bioscience 3587
      Enzymes Tocris Bioscience 3587
      Metabolism/Protease MedChem Express HY-10038
      Metabolism/Protease; MedChem Express HY-10038
      Potent DGAT-1 inhibitor Tocris Bioscience 3587
      Transferases Tocris Bioscience 3587

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 576.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 302.2±30.1 °C
Index of Refraction: 1.679
Molar Refractivity: 122.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 74.98
ACD/KOC (pH 5.5): 347.51
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 1.22
ACD/KOC (pH 7.4): 5.64
Polar Surface Area: 96 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 66.3±3.0 dyne/cm
Molar Volume: 323.7±3.0 cm3

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