ChemSpider 2D Image | voxtalisib | C31H29N5O6S

voxtalisib

  • Molecular FormulaC31H29N5O6S
  • Average mass599.657 Da
  • Monoisotopic mass599.183838 Da
  • ChemSpider ID24747393

More details:

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

1123889-87-1 [RN]
1349796-36-6 [RN]
N-[4-({3-[(3,5-Dimethoxyphenyl)amino]-2-chinoxalinyl}sulfamoyl)phenyl]-3-methoxy-4-methylbenzamid [German] [ACD/IUPAC Name]
N-[4-({3-[(3,5-Dimethoxyphenyl)amino]-2-quinoxalinyl}sulfamoyl)phenyl]-3-methoxy-4-methylbenzamide [ACD/IUPAC Name]
N-[4-({3-[(3,5-Diméthoxyphényl)amino]-2-quinoxalinyl}sulfamoyl)phényl]-3-méthoxy-4-méthylbenzamide [French] [ACD/IUPAC Name]
N-[4-({3-[(3,5-dimethoxyphenyl)amino]quinoxalin-2-yl}sulfamoyl)phenyl]-3-methoxy-4-methylbenzamide
voxtalisib [INN] [USAN]
[934493-76-2] [RN]
934493-76-2 [RN]
Benzamide, N-[4-[[[3-[(3,5-dimethoxyphenyl)amino]-2-quinoxalinyl]amino]sulfonyl]phenyl]-3-methoxy-4-methyl- [ACD/Index Name]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      PI3K inhibitor; mTOR inhibitor TargetMol T1826

    • Chemical Class:

      A sulfonamide obtained by formal condensation of the sulfonic acid group of 4-[(3-methoxy-4-methylbenzoyl)amino]benzenesulfonic acid with the primary aromatic amino group of <element>N</element>-(3,5- dimethoxyphenyl)quinoxaline-2,3-diamine. A dual PI3K/mTOR inhibitor used in cancer treatment. ChEBI CHEBI:71958
      A sulfonamide obtained by formal condensation of the sulfonic acid group of 4-[(3-methoxy-4-methylbenzoyl)amino]benzenesulfonic acid with the primary aromatic amino group of N-(3,5-dimethoxyphenyl)qui noxaline-2,3-diamine. A dual PI3K/mTOR inhibitor used in cancer treatment. ChEBI CHEBI:71958

    • Bio Activity:

      p110??/??/??/??, mTOR TargetMol T1826
      PI3K MedChem Express HY-12068
      PI3K/Akt/mTOR MedChem Express HY-12068
      PI3K/Akt/mTOR ; MedChem Express HY-12068
      PI3K/Akt/mTOR Signaling TargetMol T1826
      PI3K-IN-1 is a potent inhibitor of PI3K, more information can be found in patent WO2012103524 A2 and WO2013147649 A2. MedChem Express HY-12068

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.674
Molar Refractivity: 162.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7143.07
ACD/KOC (pH 5.5): 18603.99
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 475.14
ACD/KOC (pH 7.4): 1237.50
Polar Surface Area: 149 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 68.0±3.0 dyne/cm
Molar Volume: 432.3±3.0 cm3

Click to predict properties on the Chemicalize site


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