ChemSpider 2D Image | Omipalisib | C25H17F2N5O3S

Omipalisib

  • Molecular FormulaC25H17F2N5O3S
  • Average mass505.496 Da
  • Monoisotopic mass505.102020 Da
  • ChemSpider ID25027388

More details:

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

1086062-66-9 [RN]
2,4-Difluor-N-{2-methoxy-5-[4-(4-pyridazinyl)-6-chinolinyl]-3-pyridinyl}benzolsulfonamid [German] [ACD/IUPAC Name]
2,4-difluoro-N-(2-methoxy-5-(4-(pyridazin-4-yl)quinolin-6-yl)pyridin-3-yl)benzenesulfonamide
2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide
2,4-Difluoro-N-{2-méthoxy-5-[4-(4-pyridazinyl)-6-quinoléinyl]-3-pyridinyl}benzènesulfonamide [French] [ACD/IUPAC Name]
2,4-Difluoro-N-{2-methoxy-5-[4-(4-pyridazinyl)-6-quinolinyl]-3-pyridinyl}benzenesulfonamide [ACD/IUPAC Name]
2,4-difluoro-N-{2-methoxy-5-[4-(pyridazin-4-yl)quinolin-6-yl]pyridin-3-yl}benzene-1-sulfonamide
Benzenesulfonamide, 2,4-difluoro-N-[2-methoxy-5-[4-(4-pyridazinyl)-6-quinolinyl]-3-pyridinyl]- [ACD/Index Name]
GSK 2126458
GSK2126458
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9901 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      PI3K inhibitor; mTOR inhibitor TargetMol T1861

    • Chemical Class:

      A member of the class of quinolines that is quinoline which is substituted by pyridazin-4-yl and 5-[(2,4-difluorobenzene-1-sulfonyl)amino]-6-methoxypyridin-3-yl groups at positions 4 and 6, respective ly. It is a highly potent inhibitor of PI3K and mTOR developed by GlaxoSmithKline and was previously in human phase 1 clinical trials for the treatment of idiopathic pulmonary fibrosis and solid tumor s. ChEBI CHEBI:95093

    • Bio Activity:

      GSK2126458 is a highly selective and potent inhibitor of PI3K with Ki of 0.019 nM/0.13 nM/0.024 nM/0.06 nM and 0.18 nM/0.3 nM for p110?/?/?/?, mTORC1/2 , respectively.; IC50 value: 0.019 nM/0.13 nM/0.024 nM/0.06 nM and 0.18 nM/0.3 nM (p110?/?/?/?, mTORC1/2) [1]; Target: p110?/?/?/?; mTORC1/2; in vitro: ; Target: GSK2126458 potently inhibits the activity of common activating mutants of p110? (E542K, E545K, and H1047R) found in human cancer with Ki of 8 pM, 8 pM and 9 pM, respectively [1]. MedChem Express HY-10297
      mTOR MedChem Express HY-10297
      mTOR PI3K MedChem Express HY-10297
      p110??/??/??/??, mTORC1/2 TargetMol T1861
      PI3K/Akt/mTOR MedChem Express HY-10297
      PI3K/Akt/mTOR ; MedChem Express HY-10297
      PI3K/Akt/mTOR Signaling TargetMol T1861

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

Density: 1.5±0.1 g/cm3
Boiling Point: 715.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 386.6±35.7 °C
Index of Refraction: 1.660
Molar Refractivity: 128.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 189.38
ACD/KOC (pH 5.5): 1446.07
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 25.37
ACD/KOC (pH 7.4): 193.73
Polar Surface Area: 115 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 65.1±3.0 dyne/cm
Molar Volume: 348.6±3.0 cm3

Click to predict properties on the Chemicalize site


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