ChemSpider 2D Image | PP242 | C16H16N6O

PP242

  • Molecular FormulaC16H16N6O
  • Average mass308.338 Da
  • Monoisotopic mass308.138550 Da
  • ChemSpider ID21437059

More details:






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

1092351-67-1 [RN]
1H-Indol-5-ol, 2-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]- [ACD/Index Name]
2-(4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol [ACD/IUPAC Name]
2-(4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol [German] [ACD/IUPAC Name]
2-(4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol [French] [ACD/IUPAC Name]
PP242
PP-242
TORKinib
[1092351-67-1]
2-(4-Amino-1-isopropyl-1H-pyrazolo(3,4-d)pyrimidin-3-yl)-1H-indol-5-ol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

H5669VNZ7V [DBID]
UNII:H5669VNZ7V [DBID]
UNII-H5669VNZ7V [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Chemical Class:

      A member of the class of pyrazolopyrimidines that is 1<element>H</element>-pyrazolo[3,4-<ital>d</ital>]pyrimidine substituted by isopropyl, 5-hydroxyindol-2-yl and amino groups at positions 1, 3 and 4 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties. ChEBI CHEBI:90679
    • Bio Activity:

      ATP-competitive mTORC1/mTORC2 inhibitor (IC50 = 8 nM). Displays selectivity for mTOR over other PI 3K family kinases (IC50 values are 0.102, 0.408, 1.27, 1.96 and 2.2 ?M for p110?, DNA-PK, p110?, p110 ? and p110? respectively) and 215 further kinases. Displays modest inhibition of PKC?, JAK2, PKC?I, PKC?II and RET (IC50 values are 0.049, 0.110, 0.185, 0.198 and 0.224 ?M respectively). Inhibits both S6K and 4EBP1 phosphorylation; activity causes a decrease in cap-dependent protein translation. Also triggers donwregulation of cFLIPS and augments TRAIL-induced apoptosis of cancer cells. Tocris Bioscience 4257
      ATP-competitive mTORC1/mTORC2 inhibitor (IC50 = 8 nM). Displays selectivity for mTOR over other PI 3K family kinases (IC50 values are 0.102, 0.408, 1.27, 1.96 and 2.2 ?M for p110?, DNA-PK, p110?, p110? and p110? respectively) and 215 further kinases. Displays modest inhibition of PKC?, JAK2, PKC?I, PKC?II and RET (IC50 values are 0.049, 0.110, 0.185, 0.198 and 0.224 ?M respectively). Inhibits both S6K and 4EBP1 phosphorylation; activity causes a decrease in cap-dependent protein translation. Also triggers downregulation of cFLIPS and augments TRAIL-induced apoptosis of cancer cells. Tocris Bioscience 4257
      ATP-competitive mTORC1/mTORC2 inhibitor (IC50 = 8 nM). Displays selectivity for mTOR over other PI 3K family kinases (IC50 values are 0.102, 0.408, 1.27, 1.96 and 2.2 muM for p110gamma, DNA-PK, p110delta, p110alpha and p110beta respectively) and 215 further kinases. Displays modest inhibition of PKCalpha, JAK2, PKCbetaI, PKCbetaII and RET (IC50 values are 0.049, 0.110, 0.185, 0.198 and 0.224 muM respectively). Inhibits both S6K and 4EBP1 phosphorylation; activity causes a decrease in cap-dependent protein translation. Also triggers downregulation of cFLIPS and augments TRAIL-induced apoptosis of cancer cells. Tocris Bioscience 4257
      Dual mTORC1/mTORC2 inhibitor Tocris Bioscience 4257
      Enzymes Tocris Bioscience 4257
      Kinases Tocris Bioscience 4257
      mTOR Tocris Bioscience 4257
      mTOR MedChem Express HY-10474
      PI3K/Akt/mTOR MedChem Express HY-10474
      PI3K/Akt/mTOR ; MedChem Express HY-10474
      PP242 is a selective mTOR inhibitor with IC50 of 8 nM; targets both mTOR complexes with >10- and 100-fold selectivity for mTOR than PI3K? or PI3K?/?/?, respectively; also showed slightly weaker activity against BRD4 (Kd= 1.7 uM).; IC50 value: 8 nM ; Target: mTOR; in vitro: PP242 exhibits potent selectivity for mTOR over other PI3K family kinases such as p110?, p110?, p110?, p110?, and DNA-PK with IC50 of 1.96 ?M, 2.2 ?M, 1.27 ?M, 0.102 ?M, and 0.408 ?M, respectively. MedChem Express HY-10474

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

Density: 1.6±0.1 g/cm3
Boiling Point: 642.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 342.1±30.1 °C
Index of Refraction: 1.800
Molar Refractivity: 84.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 11.57
ACD/KOC (pH 5.5): 183.57
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.72
ACD/KOC (pH 7.4): 249.41
Polar Surface Area: 106 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 65.7±7.0 dyne/cm
Molar Volume: 198.1±7.0 cm3

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