ChemSpider 2D Image | mk-1903 | C8H8N2O2

mk-1903

  • Molecular FormulaC8H8N2O2
  • Average mass164.161 Da
  • Monoisotopic mass164.058578 Da
  • ChemSpider ID28515540

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,5aR)-4,4a,5,5a-Tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
(4aR,5aR)-4,4a,5,5a-Tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole-3-carboxylic acid [ACD/IUPAC Name]
1268882-43-4 [RN]
1H-Cyclopropa[4,5]cyclopenta[1,2-c]pyrazole-3-carboxylic acid, 4,4a,5,5a-tetrahydro-, (4aR,5aR)- [ACD/Index Name]
Acide (4aR,5aR)-4,4a,5,5a-tétrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
mk-1903
(4aR,?5aR)?-4,?4a,?5,?5a-?tetrahydro-1H-?Cyclopropa[4,?5]?cyclopenta[1,?2-?c]?pyrazole-?3-?carboxylic acid?
(4Ar,5aR)-4,4a,5,5a-Tetrahydro-1H-cyclopropa(4,5)cyclopenta(1,2-C)pyrazole-3-carboxylic acid
[1268882-43-4] [RN]
672306-06-8 [RN]
More...

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

62N05GRI0P [DBID]
CCRIS 4693 [DBID]
UNII:62N05GRI0P [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 4622
      Hydroxycarboxylic Acid Receptors Tocris Bioscience 4622
      Potent and selective GPR109A (HCA2) agonist Tocris Bioscience 4622
      Potent and selective hydroxycarboxylic acid receptor 2 (HCA2, GPR109A) full agonist; exhibits greater potency than niacin in a whole cell HTRF-cAMP assay (EC50 values are 12.9 and 51 nM respectively). Exhibits no binding at the GRP109B receptor. Tocris Bioscience 4622
      Potent and selective hydroxycarboxylic acid receptor 2 (HCA2, GPR109A) full agonist; exhibits greater potency than niacin in a whole cell HTRF-cAMP assay (EC50 values are 12.9 and 51 nM respectively). Exhibits no binding at the GRP109B receptor. Tocris Bioscience 4622

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

Density: 1.6±0.1 g/cm3
Boiling Point: 438.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 218.7±28.7 °C
Index of Refraction: 1.732
Molar Refractivity: 40.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.43
ACD/LogD (pH 7.4): -1.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 97.0±3.0 dyne/cm
Molar Volume: 101.4±3.0 cm3

Click to predict properties on the Chemicalize site


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