ChemSpider 2D Image | Lu AA-33810 | C19H25N3O2S3

Lu AA-33810

  • Molecular FormulaC19H25N3O2S3
  • Average mass423.616 Da
  • Monoisotopic mass423.110901 Da
  • ChemSpider ID21223462

More details:






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

Lu AA-33810 [Wiki]
LU AA33810
Methanesulfonamide, N-[[trans-4-[(4,5-dihydro[1]benzothiepino[5,4-d]thiazol-2-yl)amino]cyclohexyl]methyl]- [ACD/Index Name]
N-{[trans-4-(4,5-Dihydro[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl}methanesulfonamide [ACD/IUPAC Name]
N-{[trans-4-(4,5-Dihydro[1]benzothiépino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]méthyl}méthanesulfonamide [French] [ACD/IUPAC Name]
N-{[trans-4-(4,5-Dihydro[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl}methansulfonamid [German] [ACD/IUPAC Name]
304008-29-5 [RN]
N-[[trans-4-[(4,5-Dihydro[1]benzothiepino[5,4-d]thiazol-2-yl)amino]cyclohexyl]methyl]methanesulfonamide
UBP 1109 |
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      7-TM Receptors Tocris Bioscience 3562
      NPY Receptors Tocris Bioscience 3562
      Peptide Receptors Tocris Bioscience 3562
      Potent neuropeptide Y (NPY) Y5 receptor antagonist (Ki = 1.5 nM in vitro). Displays ? 3300-fold affinity for Y5 over Y1, Y2 and Y4 receptors. Also binds human 5-HT2B and 5-HT1A receptors (Ki values ar e 247 and 478 nM respectively). Exerts anxiolytic- and antidepressant-like effects in rat models of stress sensitivity. Tocris Bioscience 3562
      Potent neuropeptide Y (NPY) Y5 receptor antagonist (Ki = 1.5 nM in vitro). Displays ? 3300-fold affinity for Y5 over Y1, Y2 and Y4 receptors. Also binds human 5-HT2B and 5-HT1A receptors (Ki values are 247 and 478 nM respectively). Exerts anxiolytic- and antidepressant-like effects in rat models of stress sensitivity. Tocris Bioscience 3562
      Potent neuropeptide Y (NPY) Y5 receptor antagonist (Ki = 1.5 nM in vitro). Displays greater than or equal to 3300-fold affinity for Y5 over Y1, Y2 and Y4 receptors. Also binds human 5-HT2B and 5-HT1A receptors (Ki values are 247 and 478 nM respectively). Exerts anxiolytic- and antidepressant-like effects in rat models of stress sensitivity. Tocris Bioscience 3562
      Potent NPY Y5 receptor antagonist Tocris Bioscience 3562

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

Density: 1.5±0.1 g/cm3
Boiling Point: 625.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 331.9±34.3 °C
Index of Refraction: 1.728
Molar Refractivity: 114.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 462.05
ACD/KOC (pH 5.5): 2803.61
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 466.72
ACD/KOC (pH 7.4): 2831.95
Polar Surface Area: 130 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 286.9±7.0 cm3

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