ChemSpider 2D Image | Otenabant | C25H25Cl2N7O

Otenabant

  • Molecular FormulaC25H25Cl2N7O
  • Average mass510.418 Da
  • Monoisotopic mass509.149750 Da
  • ChemSpider ID8227602

More details:






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

1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)-4-piperidinecarboxamide [ACD/IUPAC Name]
1-[8-(2-Chlorophényl)-9-(4-chlorophényl)-9H-purin-6-yl]-4-(éthylamino)-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1-[8-(2-Chlorphenyl)-9-(4-chlorphenyl)-9H-purin-6-yl]-4-(ethylamino)-4-piperidincarboxamid [German] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)- [ACD/Index Name]
686344-29-6 [RN]
9009
J8211Y53EF
otenabant [Spanish] [INN]
oténabant [French] [INN]
More...

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

CP-945,598 [DBID]
CP-945598 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 2015
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 2015
      no pictogram Axon Medchem 2015
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 2015
      Warning Axon Medchem 2015
    • Bio Activity:

      Cannabinoid Receptor MedChem Express HY-10871
      GPCR/G protein MedChem Express HY-10871
      GPCR/G protein; MedChem Express HY-10871
      Otenabant (CP945598) is a recently discovered selective, high affinity, competitive CB1 receptor antagonist with Ki of 0.7 nM. MedChem Express http://www.medchemexpress.com/otenabant-hydrochloride.html, HY-10871
      Otenabant (CP945598) is a recently discovered selective, high affinity, competitive CB1 receptor antagonist with Ki of 0.7 nM. ;IC50 Value: 0.7 nM(Ki for binding)/0.2 nM (Ki for function) [1];Target: CB1 receptor;In vitro : Otenabant (CP-945,598) exhibits sub-nanomolar potency at human CB1 receptors in both binding (Ki = 0.7 nM) and functional assays (Ki = 0.2 nM). The compound has low affinity (Ki = 7600 nM) for human CB2 receptors[1];In vivo: Otenabant (CP-945,598) reverses four cannabinoid agonist-mediated CNS-driven responses (hypo-locomotion, hypothermia, analgesia, and catalepsy) to a synthetic cannabinoid receptor agonist. Otenabant (CP-945,598) exhibits dose and concentration-dependent anorectic activity in two models of acute food intake in rodents, fast-induced re-feeding and spontaneous, nocturnal feeding. Otenabant (CP-945,598) also acutely stimulates energy expenditure in rats and decreases the respiratory quotient indicating a metabolic switch to increased fat oxidat MedChem Express HY-10871

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

Density: 1.5±0.1 g/cm3
Boiling Point: 757.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 412.2±35.7 °C
Index of Refraction: 1.716
Molar Refractivity: 137.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 26.91
ACD/KOC (pH 5.5): 142.22
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 667.42
ACD/KOC (pH 7.4): 3526.86
Polar Surface Area: 102 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 59.5±7.0 dyne/cm
Molar Volume: 349.6±7.0 cm3

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