ChemSpider 2D Image | A-836339 | C16H26N2O2S

A-836339

  • Molecular FormulaC16H26N2O2S
  • Average mass310.455 Da
  • Monoisotopic mass310.171509 Da
  • ChemSpider ID26386293

  • Double-bond stereo - Double-bond stereo

More details:

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

959746-77-1 [RN]
A-836339
Cyclopropanecarboxamide, N-[(2Z)-3-(2-methoxyethyl)-4,5-dimethyl-2(3H)-thiazolylidene]-2,2,3,3-tetramethyl- [ACD/Index Name]
N-[(2Z)-3-(2-Methoxyethyl)-4,5-dimethyl-1,3-thiazol-2(3H)-yliden]-2,2,3,3-tetramethylcyclopropancarboxamid [German] [ACD/IUPAC Name]
N-[(2Z)-3-(2-Methoxyethyl)-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]-2,2,3,3-tetramethylcyclopropanecarboxamide [ACD/IUPAC Name]
N-[(2Z)-3-(2-Méthoxyéthyl)-4,5-diméthyl-1,3-thiazol-2(3H)-ylidène]-2,2,3,3-tétraméthylcyclopropanecarboxamide [French] [ACD/IUPAC Name]
Z6Y1J258EG
(Z)-N-(3-(2-methoxyethyl)-4,5-dimethylthiazol-2(3H)-ylidene)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
(Z)-N-(3-(2-methoxyethyl)-4,5-dimethylthiazol-2(3H)-ylidene)-2,2,3,3-tetramethylcyclopropanecarboxamide
[N(Z)]-N-[3-(2-methoxyethyl)-4,5-dimethyl-2(3H)-thiazolylidene]-2,2,3,3-tetramethyl-cyclopropanecarboxamide
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      A-836339 is a cannabinoid CB2 receptor-selective agonist; exhibits high potencies at CB(2) and selectivity over CB(1) receptors. MedChem Express
      A-836339 is a cannabinoid CB2 receptor-selective agonist; exhibits high potencies at CB(2) and selectivity over CB(1) receptors.; IC50 value: 1.6 nM(EC50) [1]; Target: CB2 agonist; in vitro: In radioligand binding assays, A-836339 displays high affinities at CB(2) receptors and selectivity over CB(1) receptors in both human and rat.In addition A-836339 exhibits a profile devoid of significant affinity at other G-protein-coupled receptors and ion channels [1].; in vivo: In the complete Freund's adjuvant model of inflammatory pain, A-836339 exhibits a potent CB(2) receptor-mediated antihyperalgesic effect that is independent of CB(1) or mu-opioid receptors. MedChem Express HY-12761
      A-836339 is a cannabinoid CB2 receptor-selective agonist; exhibits high potencies at CB(2) and selectivity over CB(1) receptors.;IC50 value: 1.6 nM(EC50) [1];Target: CB2 agonist;In vitro: In radioligand binding assays, A-836339 displays high affinities at CB(2) receptors and selectivity over CB(1) receptors in both human and rat.In addition A-836339 exhibits a profile devoid of significant affinity at other G-protein-coupled receptors and ion channels [1].;In vivo: In the complete Freund's adjuvant model of inflammatory pain, A-836339 exhibits a potent CB(2) receptor-mediated antihyperalgesic effect that is independent of CB(1) or mu-opioid receptors. A-836339 has also demonstrated efficacies in the chronic constrain injury (CCI) model of neuropathic pain, skin incision, and capsaicin-induced secondary mechanical hyperalgesia models [1]. Similar to systemic delivery, intra-spinal injection of A-836339 (0.3 and 1 nmol) also attenuated both von Frey-evoked and spontaneous firing of MedChem Express HY-12761
      Cannabinoid Receptor MedChem Express HY-12761
      GPCR/G protein MedChem Express HY-12761
      GPCR/G protein; MedChem Express HY-12761

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

Density: 1.1±0.1 g/cm3
Boiling Point: 388.4±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.8±3.0 kJ/mol
Flash Point: 188.7±28.4 °C
Index of Refraction: 1.561
Molar Refractivity: 88.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 441.29
ACD/KOC (pH 5.5): 2720.80
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 441.29
ACD/KOC (pH 7.4): 2720.80
Polar Surface Area: 67 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 36.6±7.0 dyne/cm
Molar Volume: 271.6±7.0 cm3

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