ChemSpider 2D Image | AM-6545 | C26H23Cl2N5O3S

AM-6545

  • Molecular FormulaC26H23Cl2N5O3S
  • Average mass556.464 Da
  • Monoisotopic mass555.089844 Da
  • ChemSpider ID26333263

More details:






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

1H-Pyrazole-3-carboxamide, 5-[4-(4-cyano-1-butyn-1-yl)phenyl]-1-(2,4-dichlorophenyl)-N-(1,1-dioxido-4-thiomorpholinyl)-4-methyl- [ACD/Index Name]
5-(4-[4-cyanobut-1-ynyl]phenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(1,1-dioxo-thiomorpholino)-1H-pyrazole-3-carboxamide
5-[4-(4-Cyan-1-butin-1-yl)phenyl]-1-(2,4-dichlorphenyl)-N-(1,1-dioxido-4-thiomorpholinyl)-4-methyl-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
5-[4-(4-Cyano-1-butyn-1-yl)phenyl]-1-(2,4-dichlorophenyl)-N-(1,1-dioxido-4-thiomorpholinyl)-4-methyl-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
5-[4-(4-Cyano-1-butyn-1-yl)phényl]-1-(2,4-dichlorophényl)-N-(1,1-dioxydo-4-thiomorpholinyl)-4-méthyl-1H-pyrazole-3-carboxamide [French] [ACD/IUPAC Name]
AM-6545 [Wiki]
[1245626-05-4]
1245626-05-4 [RN]
5-[4-(4-Cyanobut-1-yn-1-yl)phenyl]-1-(2,4-dichlorophenyl)-N-(1,1-dioxo-1λ6,4-thiazinan-4-yl)-4-methyl-1H-pyrazole-3-carboxamide
5-[4-(4-cyanobut-1-ynyl)phenyl]-1-(2,4-dichlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpyrazole-3-carboxamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

      7-TM Receptors Tocris Bioscience 5443
      Cannabinoid Receptors Tocris Bioscience 5443
      CB1 Receptors Tocris Bioscience 5443
      High affinity and selective CB1 antagonist Tocris Bioscience 5443
      High affinity and selective CB1 antagonist (Ki = 3.3 nM). Exhibits >100-fold selectivity for CB1 over CB2 receptors. Improves glucose homeostasis, reverses hepatic steatosis and reduces body weight in diet-induced obese mice. Orally available and non-brain penetrant. Tocris Bioscience 5443
      High affinity and selective CB1 antagonist (Ki = 3.3 nM). Exhibits >100-fold selectivity for CB1 over CB2 receptors. Improves glucose homeostasis, reverses hepatic steatosis and reduces body weight in diet-induced obese mice. Orally available and non-brain penetrant. Tocris Bioscience 5443

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.661
Molar Refractivity: 147.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 218.29
ACD/KOC (pH 5.5): 1643.94
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 218.00
ACD/KOC (pH 7.4): 1641.79
Polar Surface Area: 116 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 399.6±7.0 cm3

Click to predict properties on the Chemicalize site





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