ChemSpider 2D Image | SR9011 | C23H31ClN4O3S


  • Molecular FormulaC23H31ClN4O3S
  • Average mass479.035 Da
  • Monoisotopic mass478.180542 Da
  • ChemSpider ID28487552

More details:

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

1379686-29-9 [RN]
1-Pyrrolidinecarboxamide, 3-[[[(4-chlorophenyl)methyl][(5-nitro-2-thienyl)methyl]amino]methyl]-N-pentyl- [ACD/Index Name]
3-({(4-Chlorbenzyl)[(5-nitro-2-thienyl)methyl]amino}methyl)-N-pentyl-1-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
3-({(4-Chlorobenzyl)[(5-nitro-2-thienyl)methyl]amino}methyl)-N-pentyl-1-pyrrolidinecarboxamide [ACD/IUPAC Name]
3-({(4-Chlorobenzyl)[(5-nitro-2-thiényl)méthyl]amino}méthyl)-N-pentyl-1-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxamide, 3-((((4-chlorophenyl)methyl)((5-nitro-2-thienyl)methyl)amino)methyl)-n-pentyl-
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Others MedChem Express HY-16988
      SR9011 as an agonist of REV-ERB with IC50 = 790 nM for REV-ERB? and IC50 = 560 nM for REV-ERB?.; IC50 value: 790 nM (Rev-ErbB?), 560 nM (Rev-ErbB?); Target: Rev-ErbB; in vitro: SR9011 dose-dependently increases the REV-ERB-dependent repressor activity assessed in HEK293 cells expressing a chimeric Gal4 DNA Binding Domain (DBD) - REV-ERB ligand binding domain (LBD) ? or ? and a Gal4-responsive luciferase reporter.SR9011 and SR9009 potently and efficaciously suppresses transcription in a cotransfection assay using full-length REV-ERB? along with a luciferase reporter driven by the Bmal1 promoter (SR9011 IC50=620 nM). MedChem Express HY-16988

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

Density: 1.3±0.1 g/cm3
Boiling Point: 642.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.6±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 129.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 3094.76
ACD/KOC (pH 5.5): 6608.19
ACD/LogD (pH 7.4): 5.89
ACD/BCF (pH 7.4): 17326.73
ACD/KOC (pH 7.4): 36997.46
Polar Surface Area: 110 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 381.9±3.0 cm3

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