ChemSpider 2D Image | PF-4708671 | C19H21F3N6

PF-4708671

  • Molecular FormulaC19H21F3N6
  • Average mass390.405 Da
  • Monoisotopic mass390.177979 Da
  • ChemSpider ID25069995

More details:






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

1255517-76-0 [RN]
1H-Benzimidazole, 2-[[4-(5-ethyl-4-pyrimidinyl)-1-piperazinyl]methyl]-5-(trifluoromethyl)- [ACD/Index Name]
2-((4-(5-ethylpyrimidin-4-yl)piperazin-1-yl)methyl)-5-(trifluoromethyl)-1H-benzo[d]imidazole
2-{[4-(5-Ethyl-4-pyrimidinyl)-1-piperazinyl]methyl}-5-(trifluormethyl)-1H-benzimidazol [German] [ACD/IUPAC Name]
2-{[4-(5-Ethyl-4-pyrimidinyl)-1-piperazinyl]methyl}-5-(trifluoromethyl)-1H-benzimidazole [ACD/IUPAC Name]
2-{[4-(5-Éthyl-4-pyrimidinyl)-1-pipérazinyl]méthyl}-5-(trifluorométhyl)-1H-benzimidazole [French] [ACD/IUPAC Name]
MFCD18086922
PF-04708671
PF-4708671
[1255517-76-0] [RN]
More...

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

PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
    • Experimental Solubility:

      DMSO MedChem Express HY-15773
      DMSO 30 mg/ml; Water < 1 mg/ml MedChem Express HY-15773
      Soluble in DMSO Axon Medchem 1602
      Soluble to 50 mM in DMSO and to 50 mM in ethanol Tocris Bioscience 4032
      Soluble to 75 mM in DMSO and to 50 mM in ethanol Tocris Bioscience 4032
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1602
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1602
      no pictogram Axon Medchem 1602
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1602
      Sold for research purposes under agreement from Pfizer Inc. Tocris Bioscience 4032
      Warning Axon Medchem 1602
    • Target Organs:

      S6 Kinase inhibitor TargetMol T2002
    • Bio Activity:

      Cell-permeable inhibitor of p70 ribosomal S6 kinase (S6K1 isoform) (Ki = 20 nM; IC50 = 160 nM). Suppresses the S6K1-mediated phosphorylation of S6, Rictor and mTOR in response to IGF1; displays no eff ect on the activity of RSK and MSK in vivo. Exhibits no significant inhibition of S6K2 or other AGC kinases (e.g. Akt, PKA and ROCK) in vitro. Tocris Bioscience 4032
      Cell-permeable inhibitor of p70 ribosomal S6 kinase (S6K1 isoform) (Ki = 20 nM; IC50 = 160 nM). Suppresses the S6K1-mediated phosphorylation of S6, Rictor and mTOR in response to IGF1; displays no effect on the activity of RSK and MSK in vivo. Exhibits no significant inhibition of S6K2 or other AGC kinases (e.g. Akt, PKA and ROCK) in vitro. Tocris Bioscience 4032
      Enzymes Tocris Bioscience 4032
      Kinases Tocris Bioscience 4032
      MAPK/ERK Pathway MedChem Express HY-15773
      MAPK/ERK Pathway; MedChem Express HY-15773
      p70 S6K1 TargetMol T2002
      PF-4708671 is a novel cell-permeable inhibitor of S6K1 (p70 ribosomal S6 kinase 1), with a Ki of 20 nM and IC50 of 160 nM. MedChem Express
      PF-4708671 is a novel cell-permeable inhibitor of S6K1 (p70 ribosomal S6 kinase 1), with a Ki of 20 nM and IC50 of 160 nM.; IC50 Value: 160 nM [1]; Target: S6K1; PF-4708671 is a novel cell-permeable inhibitor of S6K1, which specifically inhibits the S6K1 isoform with a Ki of 20 nM and IC50 of 160 nM. MedChem Express HY-15773
      PF-4708671 is a novel cell-permeable inhibitor of S6K1 (p70 ribosomal S6 kinase 1), with a Ki of 20 nM and IC50 of 160 nM.;IC50 Value: 160 nM [1];Target: S6K1PF-4708671 is a novel cell-permeable inhibitor of S6K1, which specifically inhibits the S6K1 isoform with a Ki of 20 nM and IC50 of 160 nM. PF-4708671 prevents the S6K1-mediated phosphorylation of S6 protein in response to IGF-1 (insulin-like growth factor 1), while having no effect upon the PMA-induced phosphorylation of substrates of the highly related RSK (p90 ribosomal S6 kinase) and MSK (mitogen- and stress-activated kinase) kinases. PF-4708671 was also found to induce phosphorylation of the T-loop and hydrophobic motif of S6K1, an effect that is dependent upon mTORC1 (mTOR complex 1). PF-4708671 is the first S6K1-specific inhibitor to be reported and will be a useful tool for delineating S6K1-specific roles downstream of mTOR [1]. MedChem Express HY-15773
      PI3K/Akt/mTOR Signaling TargetMol T2002
      Ribosomal S6 Kinase (RSK) MedChem Express HY-15773
      RSK Tocris Bioscience 4032
      S6K1 inhibitor Tocris Bioscience 4032

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

Density: 1.3±0.1 g/cm3
Boiling Point: 572.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 300.2±30.1 °C
Index of Refraction: 1.609
Molar Refractivity: 100.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.97
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 31.70
ACD/KOC (pH 7.4): 300.44
Polar Surface Area: 61 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 289.5±3.0 cm3

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