ChemSpider 2D Image | ML240 | C23H20N6O

ML240

  • Molecular FormulaC23H20N6O
  • Average mass396.444 Da
  • Monoisotopic mass396.169861 Da
  • ChemSpider ID34500429

More details:

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

1346527-98-7 [RN]
2-(2-amino-1,3-benzodiazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine
2-(2-amino-1H-1,3-benzodiazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine
2-(2-amino-1H-benzimidazol-1-yl)-8-methoxy-N-(phenylmethyl)-4-quinazolinamine
2-(2-Amino-1H-benzimidazol-1-yl)-N-benzyl-8-methoxy-4-chinazolinamin [German] [ACD/IUPAC Name]
2-(2-Amino-1H-benzimidazol-1-yl)-N-benzyl-8-methoxy-4-quinazolinamine [ACD/IUPAC Name]
2-(2-Amino-1H-benzimidazol-1-yl)-N-benzyl-8-méthoxy-4-quinazolinamine [French] [ACD/IUPAC Name]
4-Quinazolinamine, 2-(2-amino-1H-benzimidazol-1-yl)-8-methoxy-N-(phenylmethyl)- [ACD/Index Name]
CID-49830258
MFCD28137687
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    • Chemical Class:

      A member of the class of quinazolines that is quinazoline which is substituted at positions 2, 5 and 8 by 2-amino-1H-benzimidazol-1-yl, benzylnitrilo and methoxy groups, respectively. It is a ATP-comp etetive inhibitor of AAA ATPase p97, also known as valosin-containing protein (VCP). ChEBI CHEBI:143014

    • Bio Activity:

      ATPase Tocris Bioscience 5153
      ATPases/GTPases Tocris Bioscience 5153
      ATP-competitive inhibitor of p97 ATPase Tocris Bioscience 5153
      ATP-competitive inhibitor of p97 ATPase (IC50 = 110 nM). Exhibits antiproliferative activity in NCI-60 cancer cell lines and rapidly induces executioner caspases 3 and 7 in multiple colon cancer cells . Promotes accumulation of LC3-II and impairs autophagosome maturation. Also impairs the endoplasmic-reticulum-associated degradation (ERAD) pathway. Tocris Bioscience 5153
      ATP-competitive inhibitor of p97 ATPase (IC50 = 110 nM). Exhibits antiproliferative activity in NCI-60 cancer cell lines and rapidly induces executioner caspases 3 and 7 in multiple colon cancer cells. Promotes accumulation of LC3-II and impairs autophagosome maturation. Also impairs the endoplasmic-reticulum-associated degradation (ERAD) pathway. Tocris Bioscience 5153
      ATP-competitive inhibitor of p97 ATPase (VCP, IC50 = 110 nM). Exhibits antiproliferative activity in NCI-60 cancer cell lines and rapidly induces executioner caspases 3 and 7 in multiple colon cancer cells. Promotes accumulation of LC3-II and impairs autophagosome maturation. Also impairs the endoplasmic-reticulum-associated degradation (ERAD) pathway. Tocris Bioscience 5153
      Enzymes Tocris Bioscience 5153

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 696.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 375.1±34.3 °C
Index of Refraction: 1.718
Molar Refractivity: 115.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 230.51
ACD/KOC (pH 5.5): 1533.47
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 335.78
ACD/KOC (pH 7.4): 2233.76
Polar Surface Area: 91 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 292.1±7.0 cm3

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