ChemSpider 2D Image | Gedatolisib | C32H41N9O4

Gedatolisib

  • Molecular FormulaC32H41N9O4
  • Average mass615.726 Da
  • Monoisotopic mass615.328125 Da
  • ChemSpider ID24644946

More details:

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

1-(4-{[4-(Dimethylamino)-1-piperidinyl]carbonyl}phenyl)-3-{4-[4,6-di(4-morpholinyl)-1,3,5-triazin-2-yl]phenyl}harnstoff [German] [ACD/IUPAC Name]
1-(4-{[4-(Dimethylamino)-1-piperidinyl]carbonyl}phenyl)-3-{4-[4,6-di(4-morpholinyl)-1,3,5-triazin-2-yl]phenyl}urea [ACD/IUPAC Name]
1-(4-{[4-(Diméthylamino)-1-pipéridinyl]carbonyl}phényl)-3-{4-[4,6-di(4-morpholinyl)-1,3,5-triazin-2-yl]phényl}urée [French] [ACD/IUPAC Name]
1197160-78-3 [RN]
3-{4-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]phenyl}-1-{4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl}urea
gedatolisib [Spanish] [INN]
Gedatolisib [INN] [USAN]
gédatolisib [French] [INN]
Gedatolisib (PF-05212384, PKI-587)
gedatolisibum [Latin] [INN]
More...

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

96265TNH2R [DBID]
9984 [DBID]
CCRIS 4693 [DBID]
UNII:96265TNH2R [DBID]
UNII-96265TNH2R [DBID]
  • Experimental Physico-chemical Properties

    • Experimental Solubility:

      H2O: soluble10 mg/mL (clear solution); in DMSO > 10 mM; Ethanol:20 mg/mL; MedChem Express HY-10681
      Soluble to 5 mM in DMSO with gentle warming Tocris Bioscience 4823
  • Miscellaneous

    • Safety:

      Sold for research purposes under agreement from Pfizer Inc. Tocris Bioscience 4823

    • Target Organs:

      PI3K inhibitor; mTOR inhibitor TargetMol T1970

    • Bio Activity:

      Enzymes Tocris Bioscience 4823
      Kinases Tocris Bioscience 4823
      mTOR MedChem Express HY-10681
      mTOR PI3K MedChem Express HY-10681
      PI 3-Kinase Tocris Bioscience 4823
      PI3K/Akt/mTOR MedChem Express HY-10681
      PI3K/Akt/mTOR ; MedChem Express HY-10681
      PI3K/Akt/mTOR Signaling TargetMol T1970
      PI3K??, mTOR, PI3K?? TargetMol T1970
      PKI-587(PF-05212384) is a highly potent dual PI3K/mTOR kinase inhibitor with IC50 of 0.4 nM, 5.4 nM and 1.6 nM for PI3K?, PI3K? and mTOR, respectively. MedChem Express HY-10681
      Potent and selective dual inhibitor of PI 3-kinase/mTOR (IC50 values are 0.4, 1.6 and 5.4 nM for PI 3-K?, mTOR and PI 3-K? respectively). Exhibits selectivity over 234 other protein kinases (IC50 >10 ?M). Potently inhibits tumor cell growth in 37 different tumor cell lines (IC50 < 100 nM). Also exhibits antitumor activity in MDA-361, HCT-116, H1975 and U87MG xenograft models. Tocris Bioscience 4823
      Potent and selective dual inhibitor of PI 3-kinase/mTOR (IC50 values are 0.4, 1.6 and 5.4 nM for PI 3-K?, mTOR and PI 3-K? respectively). Exhibits selectivity over 234 other protein kinases (IC50 >10 ?M). Potently inhibits tumor cell growth in 37 different tumor cell lines (IC50 < 100 nM). Also exhibits antitumor activity in MDA-361, HCT-116, H1975 and U87MG xenograft models. Tocris Bioscience 4823
      Potent and selective dual inhibitor of PI 3-kinase/mTOR (IC50 values are 0.4, 1.6 and 5.4 nM for PI 3-Kalpha, mTOR and PI 3-Kgamma respectively). Exhibits selectivity over 234 other protein kinases (IC50 >10 muM). Potently inhibits tumor cell growth in 37 different tumor cell lines (IC50 < 100 nM). Also exhibits antitumor activity in MDA-361, HCT-116, H1975 and U87MG xenograft models. Tocris Bioscience 4823
      Potent and selective dual PI 3-K/mTOR inhibitor Tocris Bioscience 4823

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: 1.670
Molar Refractivity: 168.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.76
ACD/LogD (pH 5.5): -2.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.73
Polar Surface Area: 128 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 76.3±5.0 dyne/cm
Molar Volume: 451.5±5.0 cm3

Click to predict properties on the Chemicalize site


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