ChemSpider 2D Image | Atglistatin | C17H21N3O

Atglistatin

  • Molecular FormulaC17H21N3O
  • Average mass283.368 Da
  • Monoisotopic mass283.168457 Da
  • ChemSpider ID30646765

More details:

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

1-[4'-(dimethylamino)-[1,1'-biphenyl]-3-yl]-3,3-dimethylurea
1198408-78-4 [RN]
1469924-27-3 [RN]
3-(4'-(dimethylamino)-[1,1'-biphenyl]-3-yl)-1,1-dimethylurea
3-[4'-(Dimethylamino)-3-biphenylyl]-1,1-dimethylharnstoff [German] [ACD/IUPAC Name]
3-[4'-(Dimethylamino)-3-biphenylyl]-1,1-dimethylurea [ACD/IUPAC Name]
3-[4'-(Diméthylamino)-3-biphénylyl]-1,1-diméthylurée [French] [ACD/IUPAC Name]
Atglistatin
MFCD28009494
Urea, N'-[4'-(dimethylamino)[1,1'-biphenyl]-3-yl]-N,N-dimethyl- [ACD/Index Name]
More...

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

PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      Adipose triglyceride lipase TargetMol T1875

    • Bio Activity:

      ATGL MedChem Express HY-15859
      ATGL TargetMol T1875
      Atglistatin is a highly potent, selective and competitive inhibitor of adipose triglyceride lipase (ATGL) with an IC50 of ~0.7 ?M for inhibition of lipolysis in vitro, but no toxicity up to a concentration of 50 ?M.; IC50 value: 0.7 uM [1]; Target: ATGL; Atglistatin inactivated ATGL in the presence or absence of the ATGL co-activator CGI-58. MedChem Express HY-15859
      Enzyme TargetMol T1875
      Others MedChem Express HY-15859

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

Density: 1.1±0.1 g/cm3
Boiling Point: 498.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 255.4±28.7 °C
Index of Refraction: 1.621
Molar Refractivity: 87.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 83.26
ACD/KOC (pH 5.5): 747.79
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 116.86
ACD/KOC (pH 7.4): 1049.56
Polar Surface Area: 36 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 249.6±3.0 cm3

Click to predict properties on the Chemicalize site


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