ChemSpider 2D Image | Torin 2 | C24H15F3N4O

Torin 2

  • Molecular FormulaC24H15F3N4O
  • Average mass432.397 Da
  • Monoisotopic mass432.119781 Da
  • ChemSpider ID26232176

More details:






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

1223001-51-1 [RN]
9-(6-Amino-3-pyridinyl)-1-[3-(trifluormethyl)phenyl]benzo[h][1,6]naphthyridin-2(1H)-on [German] [ACD/IUPAC Name]
9-(6-Amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1H)-one [ACD/IUPAC Name]
9-(6-Amino-3-pyridinyl)-1-[3-(trifluorométhyl)phényl]benzo[h][1,6]naphtyridin-2(1H)-one [French] [ACD/IUPAC Name]
9-(6-AMINOPYRIDIN-3-YL)-1-[3-(TRIFLUOROMETHYL)PHENYL]-1H,2H-BENZO[H]1,6-NAPHTHYRIDIN-2-ONE
Benzo[h][1,6]naphthyridin-2(1H)-one, 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
Torin 2
[1223001-51-1] [RN]
17G
9-(6-Amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-benzo[h]-1,6-naphthyridin-2(1H)-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

PubChem Substance ID 329825761 [DBID]
  • References
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1834
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1834
      no pictogram Axon Medchem 1834
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1834
      Sold under license from Whitehead Institute for Biomedical Research. Tocris Bioscience 4248
      Warning Axon Medchem 1834
    • Chemical Class:

      A member of the class of pyridoquinolines that is benzo[h][1,6]naphthyridin-2-one carrying additional 3-(trifluoromethyl)phenyl and 6-aminopyridin-3-yl substituents at positions 1 and 9 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties. ChEBI CHEBI:90682
    • Bio Activity:

      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio [HB2254]
      Enzymes Tocris Bioscience 4248
      Enzymes/Kinase/mTOR Hello Bio [HB2254]
      Kinases Tocris Bioscience 4248
      mTOR Tocris Bioscience 4248
      mTOR MedChem Express HY-13002
      PI3K/Akt/mTOR MedChem Express HY-13002
      PI3K/Akt/mTOR ; MedChem Express HY-13002
      Potent and selective mTOR inhibitor Tocris Bioscience 4248
      Potent and selective mTOR inhibitor (IC50 = 2.1 nM). Displays 800-fold cellular selectivity for mTOR over PI3K (cellular EC50 values are 0.25 and 200 nM for mTOR and PI3K respectively). Activates autophagy. Orally available. Tocris Bioscience 4248
      Potent and selective mTOR inhibitor (IC50 = 2.1 nM). Displays 800-fold cellular selectivity for mTOR over PI3K (cellular EC50 values are 0.25 and 200 nM for mTOR and PI3K respectively). Orally availab le. Tocris Bioscience 4248
      Potent and selective mTOR inhibitor (IC50 = 2.1 nM). Displays 800-fold cellular selectivity for mTOR over PI3K (cellular EC50 values are 0.25 and 200 nM for mTOR and PI3K respectively). Orally available. Tocris Bioscience 4248
      Potent, selective and ATP-competitive mTOR inhibitor (IC<sub>50</sub> = 2.1 nM and EC<sub>50</sub> value = 250 pM for inhibition of cellular mTOR activity). Shows 800-fold selectivity over PI3K and >100-fold selectivity over ~400 other protein kinases. Shows potent antiproliferative activity. Causes apoptosis and autophagy and induces G<sub>0</sub>/G<sub>1</sub> cell cycle arrest. Hello Bio [HB2254]
      Potent, selective mTOR inhibitor Hello Bio [HB2254]
      Torin 2 is a potent and selective mTOR inhibitor with IC50 of 0.25 nM; 800-fold greater selectivity for mTOR than PI3K and improved pharmacokinetic properties; inhibition of ATM/ATR/DNA-PK with EC50 of 28 nM/35 nM/118 nM, respectively.; IC50 value: 0.25 nM [1]; Target: mTOR; in vitro: Torin 2 has the same binding mode as PI3K?, V882 serves as a hinge binding point and in the inner hydrophobic pocket Y867, D841 and D964 provide three more hydrogen bonds with aminopyridine side chain analogous to Y2225, D2195 and D2357 of mTOR [1]. MedChem Express HY-13002

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

Density: 1.4±0.1 g/cm3
Boiling Point: 623.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 331.0±31.5 °C
Index of Refraction: 1.676
Molar Refractivity: 114.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 102.69
ACD/KOC (pH 5.5): 734.70
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 256.46
ACD/KOC (pH 7.4): 1834.90
Polar Surface Area: 72 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 302.9±3.0 cm3

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