ChemSpider 2D Image | GSK2606414 | C24H20F3N5O

GSK2606414

  • Molecular FormulaC24H20F3N5O
  • Average mass451.444 Da
  • Monoisotopic mass451.161987 Da
  • ChemSpider ID28643060

More details:






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

1-[5-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluormethyl)phenyl]ethanon [German] [ACD/IUPAC Name]
1-[5-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone [ACD/IUPAC Name]
1-[5-(4-Amino-7-méthyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluorométhyl)phényl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
GSK2606414
[1337531-36-8]
1-(5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)indolin-1-yl)-2-(3-(trifluoromethyl)phenyl)ethan-1-one
1-(5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)indolin-1-yl)-2-(3-(trifluoromethyl)phenyl)ethanone
1-(5-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-indolin-1-yl)-2-(3-(trifluoromethyl)phenyl)ethanone
1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]-ethanone
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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
    • Experimental Solubility:

      10 mM in DMSO MedChem Express HY-18072
      DMSO: 200 mg/ml MedChem Express HY-18072
      Soluble in DMSO Axon Medchem 2233
      Soluble to 100 mM in DMSO Tocris Bioscience 5107
      Soluble to 100 mM in DMSO and to 20 mM in 1eq. HCl with gentle warming Tocris Bioscience 5107
  • Miscellaneous
    • Safety:

      5 Axon Medchem 2233
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 2233
      no pictogram Axon Medchem 2233
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 2233
      Sold for research purposes only under agreement from GlaxoSmithKline Tocris Bioscience 5107
      Warning Axon Medchem 2233
    • Target Organs:

      PERK inhibitor TargetMol T2614
    • Drug Status:

      pre-clinical BIONET-Key Organics EK-0047
    • Bio Activity:

      Apoptosis TargetMol T2614
      Cell Cycle/DNA Damage MedChem Express HY-18072
      Cell Cycle/DNA Damage; MedChem Express HY-18072
      Enzymes Tocris Bioscience 5107
      GSK2606414 is an orally available, potent, and selective PERK inhibitor with an IC50 of 0.4 nM. MedChem Express
      GSK2606414 is an orally available, potent, and selective PERK inhibitor with an IC50 of 0.4 nM.; IC50 Value: 0.4 nM [1]; Target:PERK; GSK2606414 inhibits PERK activation in cells and inhibits the growth of a human tumor xenograft in mice. MedChem Express HY-18072
      GSK2606414 is an orally available, potent, and selective PERK inhibitor with an IC50 of 0.4 nM.;IC50 Value: 0.4 nM [1];Target:PERKGSK2606414 inhibits PERK activation in cells and inhibits the growth of a human tumor xenograft in mice. Protein kinase R (PKR)-like endoplasmic reticulum kinase (PERK) is activated in response to a variety of endoplasmic reticulum stresses implicated in numerous disease states [1]. It is implicated that PERK plays an important role in tumorigenesis and cancer cell survival. MedChem Express HY-18072
      HRI, PKR TargetMol T2614
      Kinases Tocris Bioscience 5107
      PERK Tocris Bioscience 5107
      PERK MedChem Express HY-18072
      Potent and selective PERK inhibitor; orally bioavailable Tocris Bioscience 5107
      Potent and selective protein kinase R-like ER kinase (PERK) inhibitor (IC50 = 0.4 nM). Exhibits >1000-fold selectivity for PERK over HR1 and PKR. Inhibits thapsigargin-induced PERK phosphorylation in lung carcinoma A549 cells. Attenuates subcutaneous pancreatic human tumor xenograft growth in mice. Orally bioavailable. Tocris Bioscience 5107
      Potent and selective protein kinase R-like ER kinase (PERK) inhibitor (IC50 = 0.4 nM). Exhibits >1000-fold selectivity for PERK over HR1 and PKR. Inhibits thapsigargin-induced PERK phosphorylation in lung carcinoma A549 cells. Attenuates subcutaneous pancreatic human tumor xenograft growth in mice. Orally bioavailable. Tocris Bioscience 5107

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

Density: 1.4±0.1 g/cm3
Boiling Point: 720.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 389.4±32.9 °C
Index of Refraction: 1.668
Molar Refractivity: 117.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 284.57
ACD/KOC (pH 5.5): 1283.19
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1267.61
ACD/KOC (pH 7.4): 5715.96
Polar Surface Area: 77 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 314.3±7.0 cm3

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