ChemSpider 2D Image | Derenofylline | C18H20N4O

Derenofylline

  • Molecular FormulaC18H20N4O
  • Average mass308.378 Da
  • Monoisotopic mass308.163696 Da
  • ChemSpider ID24606007

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

251945-92-3 [RN]
4-[(4-trans-Hydroxycyclohexyl)amino]-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine
Cyclohexanol, 4-[(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-, trans- [ACD/Index Name]
derenofilina [Spanish] [INN]
Derenofylline [INN]
dérénofylline [French] [INN]
derenofyllinum [Latin] [INN]
GW0775000
O1Q96UZ63W
SLV 320
More...

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

9208 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 3344
      Adenosine A1 Receptors Tocris Bioscience 3344
      Adenosine Receptors Tocris Bioscience 3344
      Potent and selective A1 antagonist Tocris Bioscience 3344
      Potent and selective adenosine A1 receptor antagonist (Ki values are 1, 200, 398 and 3981 nM at human A1, A3, A2A and A2B receptors respectively). Suppresses cardiac fibrosis and attenuates albuminuri a, without effect on blood pressure in animal models of chronic renal failure. Orally active. Tocris Bioscience 3344
      Potent and selective adenosine A1 receptor antagonist (Ki values are 1, 200, 398 and 3981 nM at human A1, A3, A2A and A2B receptors respectively). Suppresses cardiac fibrosis and attenuates albuminuria, without effect on blood pressure in animal models of chronic renal failure. Orally active. Tocris Bioscience 3344

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.717
Molar Refractivity: 91.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 22.46
ACD/KOC (pH 5.5): 252.31
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 52.54
ACD/KOC (pH 7.4): 590.22
Polar Surface Area: 74 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 67.0±3.0 dyne/cm
Molar Volume: 232.6±3.0 cm3

Click to predict properties on the Chemicalize site


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