ChemSpider 2D Image | SR-9009 | C20H24ClN3O4S

SR-9009

  • Molecular FormulaC20H24ClN3O4S
  • Average mass437.940 Da
  • Monoisotopic mass437.117615 Da
  • ChemSpider ID28487410

More details:






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

1379686-30-2 [RN]
1-Pyrrolidinecarboxylic acid, 3-[[[(4-chlorophenyl)methyl][(5-nitro-2-thienyl)methyl]amino]methyl]-, ethyl ester [ACD/Index Name]
3-({(4-Chlorobenzyl)[(5-nitro-2-thiényl)méthyl]amino}méthyl)-1-pyrrolidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-({(4-chlorobenzyl)[(5-nitro-2-thienyl)methyl]amino}methyl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
Ethyl-3-({(4-chlorbenzyl)[(5-nitro-2-thienyl)methyl]amino}methyl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
SR-9009
UNII:X5DCA09N30
X5DCA09N30
[1379686-30-2]
3-[[[(4-chlorophenyl)methyl][(5-nitro-2-thienyl)methyl]amino]methyl]-1-pyrrolidinecarboxylic acid ethyl ester
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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:

      Nuclear Receptors Tocris Bioscience 5855
      Others MedChem Express HY-16989
      Rev-Erb Receptors Tocris Bioscience 5855
      Rev-Erb?/? agonist Tocris Bioscience 5855
      Rev-Erb?/? agonist (EC50 = 710 nM; Kd = 800 nM). Alters circadian locomotor activity and core clock hypothalamic gene expression in mice. Induces weight loss in diet-induced mice. Brain penetrant. Tocris Bioscience 5855
      Rev-Erb?/? agonist (EC50 = 710 nM; Kd = 800 nM). Alters circadian locomotor activity and core clock hypothalamic gene expression in mice. Induces weight loss in diet-induced obese mice. Brain penetrant. Tocris Bioscience 5855
      Rev-Erbalpha/beta agonist Tocris Bioscience 5855
      Rev-Erbalpha/beta agonist (EC50 = 710 nM; Kd = 800 nM). Alters circadian locomotor activity and core clock hypothalamic gene expression in mice. Induces weight loss in diet-induced obese mice. Brain penetrant. Tocris Bioscience 5855
      SR9009 is an agonist of REV-ERB with IC50 = 670 nM for REV-ERB? and IC50 = 800 nM for REV-ERB?. MedChem Express HY-16989

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

Density: 1.3±0.1 g/cm3
Boiling Point: 547.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 284.7±28.7 °C
Index of Refraction: 1.608
Molar Refractivity: 114.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 206.89
ACD/KOC (pH 5.5): 990.31
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1021.17
ACD/KOC (pH 7.4): 4888.06
Polar Surface Area: 107 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 329.9±3.0 cm3

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