ChemSpider 2D Image | CU-CPT22 | C19H22O7

CU-CPT22

  • Molecular FormulaC19H22O7
  • Average mass362.374 Da
  • Monoisotopic mass362.136566 Da
  • ChemSpider ID29785012

More details:

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

1416324-85-0 [RN]
3,4,6-Trihydroxy-2-méthoxy-5-oxo-5H-benzo[7]annulène-8-carboxylate d'hexyle [French] [ACD/IUPAC Name]
5H-Benzocycloheptene-8-carboxylic acid, 3,4,6-trihydroxy-2-methoxy-5-oxo-, hexyl ester [ACD/Index Name]
CU CPT 22
CU-CPT22
Hexyl 3,4,6-trihydroxy-2-methoxy-5-oxo-5H-benzo[7]annulene-8-carboxylate [ACD/IUPAC Name]
Hexyl-3,4,6-trihydroxy-2-methoxy-5-oxo-5H-benzo[7]annulen-8-carboxylat [German] [ACD/IUPAC Name]
MFCD26406409
[1416324-85-0] [RN]
3,4,6-trihydroxy-2-methoxy-5-oxo-5H-benzocycloheptene-8-carboxylic acid, hexyl ester
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      Sold under license from the University of Colorado Tocris Bioscience 4884

    • Bio Activity:

      Enzyme-Linked Receptors Tocris Bioscience 4884
      Selective TLR1/2 inhibitor Tocris Bioscience 4884
      Selective toll-like receptor 1/2 (TLR1/2) inhibitor (IC50 = 0.58 ?M). Exhibits no activity at TLR2/TLR6, TLR3, TLR4 and TLR7 or a panel of 10 representative kinases. Inhibits the release of proinflamm atory cytokines TNF-? and IL-1?. Tocris Bioscience 4884
      Selective toll-like receptor 1/2 (TLR1/2) inhibitor (IC50 = 0.58 ?M). Exhibits no activity at TLR2/TLR6, TLR3, TLR4 and TLR7 or a panel of 10 representative kinases. Inhibits the release of proinflammatory cytokines TNF-? and IL-1?. Tocris Bioscience 4884
      Selective toll-like receptor 1/2 (TLR1/2) inhibitor (IC50 = 0.58 muM). Exhibits no activity at TLR2/TLR6, TLR3, TLR4 and TLR7 or a panel of 10 representative kinases. Inhibits the release of proinflammatory cytokines TNF-alpha and IL-1beta. Tocris Bioscience 4884
      Toll-like Receptors Tocris Bioscience 4884

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

Density: 1.3±0.1 g/cm3
Boiling Point: 610.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 218.5±25.0 °C
Index of Refraction: 1.603
Molar Refractivity: 93.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 135.57
ACD/KOC (pH 5.5): 1099.57
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 5.67
ACD/KOC (pH 7.4): 45.97
Polar Surface Area: 113 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 61.0±3.0 dyne/cm
Molar Volume: 271.1±3.0 cm3

Click to predict properties on the Chemicalize site


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