ChemSpider 2D Image | ISRIB | C22H24Cl2N2O4

ISRIB

  • Molecular FormulaC22H24Cl2N2O4
  • Average mass451.343 Da
  • Monoisotopic mass450.111328 Da
  • ChemSpider ID30773985
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Acetamide, N,N'-trans-1,4-cyclohexanediylbis[2-(4-chlorophenoxy)- [ACD/Index Name]
ISRIB [Wiki]
N,N'-trans-1,4-Cyclohexandiylbis[2-(4-chlorphenoxy)acetamid] [German] [ACD/IUPAC Name]
N,N'-trans-1,4-Cyclohexanediylbis[2-(4-chlorophenoxy)acetamide] [ACD/IUPAC Name]
N,N'-trans-1,4-Cyclohexanediylbis[2-(4-chlorophénoxy)acétamide] [French] [ACD/IUPAC Name]
trans-ISRIB
[1597403-47-8]
1597403-47-8 [RN]
548470-11-7 [RN]
acetic acid, ({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)
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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 2278
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 2278
      no pictogram Axon Medchem 2278
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 2278
      Warning Axon Medchem 2278
    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-12495
      Cell Cycle/DNA Damage; MedChem Express HY-12495
      Enzymes Tocris Bioscience 5284
      Integrated stress response (ISR) inhibitor Tocris Bioscience 5284
      Integrated stress response (ISR) inhibitor; reverses the effects of eIF2? phosphorylation (IC50 = 5 nM) and restores cell translation capacity. Acts downstream of PERK, targeting interactions between eIF2? kinases and elF2B. Blocks ATF4 production without altering the IRE1 or ATF6 responses in vitro. Displays memory enhancement in hippocampus-dependent spatial and fear-associated learning in roden ts. Brain penetrant. Tocris Bioscience 5284
      Integrated stress response (ISR) inhibitor; reverses the effects of eIF2? phosphorylation (IC50 = 5 nM) and restores cell translation capacity. Acts downstream of PERK, targeting interactions between eIF2? kinases and elF2B. Blocks ATF4 production without altering the IRE1 or ATF6 responses in vitro. Displays memory enhancement in hippocampus-dependent spatial and fear-associated learning in rodents. Brain penetrant. Tocris Bioscience 5284
      Integrated stress response (ISR) inhibitor; reverses the effects of eIF2alpha phosphorylation (IC50 = 5 nM) and restores cell translation capacity. Acts downstream of PERK, targeting interactions between eIF2alpha kinases and elF2B. Blocks ATF4 production without altering the IRE1 or ATF6 responses in vitro. Displays memory enhancement in hippocampus-dependent spatial and fear-associated learning in rodents. Brain penetrant. Tocris Bioscience 5284
      ISRIB (trans-isomer) is a potent inhibitor of PERK signaling; inhibition of the ATF4 luciferase reporter in HEK293T cells with IC50 of 5 nM. MedChem Express
      ISRIB (trans-isomer) is a potent inhibitor of PERK signaling; inhibition of the ATF4 luciferase reporter in HEK293T cells with IC50 of 5 nM.; IC50 value: 5 nM [1]; Target: PERK inhibitor; in vitro: Trans-ISRIB proved 100-fold more potent (IC50 = 5 nM) than cis-ISRIB (IC50 = 600 nM), indicating that the compound?s interaction with its cellular target is stereospecific. MedChem Express HY-12495
      Kinases Tocris Bioscience 5284
      PERK Tocris Bioscience 5284
      PERK MedChem Express HY-12495

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

Density: 1.3±0.1 g/cm3
Boiling Point: 719.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 388.6±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 116.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 571.51
ACD/KOC (pH 5.5): 3274.02
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 571.51
ACD/KOC (pH 7.4): 3274.02
Polar Surface Area: 77 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 338.7±5.0 cm3

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