ChemSpider 2D Image | CBL0137 | C21H24N2O2

CBL0137

  • Molecular FormulaC21H24N2O2
  • Average mass336.427 Da
  • Monoisotopic mass336.183777 Da
  • ChemSpider ID24747062

More details:

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

1,1'-{9-[2-(Isopropylamino)ethyl]-9H-carbazol-3,6-diyl}diethanon [German] [ACD/IUPAC Name]
1,1'-{9-[2-(Isopropylamino)ethyl]-9H-carbazole-3,6-diyl}diethanone [ACD/IUPAC Name]
1,1'-{9-[2-(Isopropylamino)éthyl]-9H-carbazole-3,6-diyl}diéthanone [French] [ACD/IUPAC Name]
1,1′-[9-[2-[(1-Methylethyl)amino]ethyl]-9H-carbazole-3,6-diyl]bis[ethanone]
1197996-80-7 [RN]
CBL0137
CBL-0137
CBL-0137 FREE BASE
Ethanone, 1,1'-[9-[2-[(1-methylethyl)amino]ethyl]-9H-carbazole-3,6-diyl]bis- [ACD/Index Name]
1-(6-ACETYL-9-{2-[(PROPAN-2-YL)AMINO]ETHYL}-9H-CARBAZOL-3-YL)ETHAN-1-ONE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8XKR07H9ER [DBID]
UNII:8XKR07H9ER [DBID]
UNII-8XKR07H9ER [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A member of the class of carbazoles that is 9<element>H</element>-carbazole which is substituted by acetyl groups at positions 3 and 6, and by a 2-isopropylethyl group on the nitrogen atom (position 9 ). It is a modulator of histone chaperone FACT (FAcilitates Chromatin Transcription) - interaction of CBL0137 with the FACT complex results in simultaneous NF-<greek>kappa</greek> <greek>beta</greek> suppression, Heat Shock Transcription Factor 1 (HSF1) suppression and p53 activation - and shows antitumour effects in animal models of various cancers. ChEBI CHEBI:138650
      A member of the class of carbazoles that is 9H-carbazole which is substituted by acetyl groups at positions 3 and 6, and by a 2-isopropylethyl group on the nitrogen atom (position 9; ). It is a modula tor of histone chaperone FACT (FAcilitates Chromatin Transcription) - interaction of CBL0137 with the FACT complex results in simultaneous NF-kappa beta ; suppression, Heat Shock Transcription Factor 1 (HSF1) suppression and p53 activation - and shows antitumour effects in animal models of various cancers. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:138650

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

Density: 1.2±0.1 g/cm3
Boiling Point: 477.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 242.6±28.7 °C
Index of Refraction: 1.599
Molar Refractivity: 99.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.42
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.32
Polar Surface Area: 51 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 40.6±7.0 dyne/cm
Molar Volume: 291.6±7.0 cm3

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