ChemSpider 2D Image | Torin 1 | C35H28F3N5O2

Torin 1

  • Molecular FormulaC35H28F3N5O2
  • Average mass607.624 Da
  • Monoisotopic mass607.219482 Da
  • ChemSpider ID26232175

More details:






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

1-[4-(4-Propionyl-1-pipérazinyl)-3-(trifluorométhyl)phényl]-9-(3-quinoléinyl)benzo[h][1,6]naphtyridin-2(1H)-one [French] [ACD/IUPAC Name]
1-[4-(4-Propionyl-1-piperazinyl)-3-(trifluoromethyl)phenyl]-9-(3-quinolinyl)benzo[h][1,6]naphthyridin-2(1H)-one [ACD/IUPAC Name]
9-(3-Chinolinyl)-1-[4-(4-propionyl-1-piperazinyl)-3-(trifluormethyl)phenyl]benzo[h][1,6]naphthyridin-2(1H)-on [German] [ACD/IUPAC Name]
Benzo[h]-1,6-naphthyridin-2(1H)-one, 1-[4-[4-(1-oxopropyl)-1-piperazinyl]-3-(trifluoromethyl)phenyl]-9-(3-quinolinyl)- [ACD/Index Name]
Torin 1
[1222998-36-8]
1-(4-(4-Propionylpip erazin-1-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzoh1,6naphthyridin-2(1H)-one
1-(4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one
1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(quinolin-3-yl)-1H,2H-benzo[h]1,6-naphthyridin-2-one
1-[4-(4-Propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1833
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1833
      no pictogram Axon Medchem 1833
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1833
      Sold under license from Whitehead Institute for Biomedical Research. Tocris Bioscience 4247
      Warning Axon Medchem 1833
    • Chemical Class:

      A member of the class of pyridoquinolines that is 9-(quinolin-3-yl)benzo[<ital>h</ital>][1,6]naphthyridin-2-one bearing an additional 4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl substituen t at position 1. It is a potent inhibitor of mTOR and exhibits anti-cancer properties. ChEBI CHEBI:84327
    • Bio Activity:

      Enzymes Tocris Bioscience 4247
      Kinases Tocris Bioscience 4247
      mTOR Tocris Bioscience 4247
      mTOR MedChem Express HY-13003
      PI3K/Akt/mTOR MedChem Express HY-13003
      PI3K/Akt/mTOR ; MedChem Express HY-13003
      Potent and selective mTOR inhibitor Tocris Bioscience 4247
      Potent and selective mTOR inhibitor (IC50 = 2 - 10 nM for mTORC1 and mTORC2). Displays 200-fold selectivity for mTOR over DNA-PK, ATM and hVps34. Induces autophagy in HeLa cells. Tocris Bioscience 4247
      Torin 1 is a potent inhibitor of mTORC1/2 with IC50 of 2 nM/10 nM; exhibits 1000-fold selectivity for mTOR than PI3K. MedChem Express HY-13003
      Torin 1 is a potent inhibitor of mTORC1/2 with IC50 of 2 nM/10 nM; exhibits 1000-fold selectivity for mTOR than PI3K. ;IC50 value: 2 nM/10 nM(mTORC1/2) [1];Target: mTORC1/2 ;In vitro: Moreover, Torin1 exhibits 1000-fold selectivity for mTOR over PI3K (EC50 = 1800 nM) and exhibits 100-fold binding selectivity relative to 450 other protein kinases [2]. In a recent study, it is reported Torin1 increases neurotensin secretion and gene expression through activation of the MEK/ERK/c-Jun pathway in the human endocrine cell line BON [3]. ;In vivo: Torin1 is efficacious at a dose of 20 mg/kg in a U87MG xenograft model and demonstrates good pharmacodynamic inhibition of downstream effectors of mTOR in tumor and peripheral tissues [2]. MedChem Express HY-13003

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

Density: 1.4±0.1 g/cm3
Boiling Point: 817.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 448.0±34.3 °C
Index of Refraction: 1.663
Molar Refractivity: 165.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3485.49
ACD/KOC (pH 5.5): 11784.69
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3651.79
ACD/KOC (pH 7.4): 12347.00
Polar Surface Area: 70 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 445.9±3.0 cm3

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