ChemSpider 2D Image | (R)-(+)-trans-4-(1-Aminoethyl)-N-(4-Pyridyl)cyclohexanecarboxamide | C14H21N3O


  • Molecular FormulaC14H21N3O
  • Average mass247.336 Da
  • Monoisotopic mass247.168457 Da
  • ChemSpider ID20016532
  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

146986-50-7 [RN]
Cyclohexanecarboxamide, 4-[(1R)-1-aminoethyl]-N-4-pyridinyl-, trans- [ACD/Index Name]
trans-4-[(1R)-1-Aminoethyl]-N-(4-pyridinyl)cyclohexancarboxamid [German] [ACD/IUPAC Name]
trans-4-[(1R)-1-Aminoethyl]-N-(4-pyridinyl)cyclohexanecarboxamide [ACD/IUPAC Name]
trans-4-[(1R)-1-Aminoéthyl]-N-(4-pyridinyl)cyclohexanecarboxamide [French] [ACD/IUPAC Name]
Y-27632 [Wiki]

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

Y 27632 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-43041]
    • Safety:

      20/21/22 Novochemy [NC-43041]
      20/21/36/37/39 Novochemy [NC-43041]
      GHS07; GHS09 Novochemy [NC-43041]
      H332; H403 Novochemy [NC-43041]
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-43041]
      Warning Novochemy [NC-43041]
      Xn Novochemy [NC-43041]
    • Chemical Class:

      A monocarboxylic acid amide that is <stereo>trans</stereo>-[(1<stereo>R</stereo>)-1-aminoethyl]cyclohexanecarboxamide in which one of the nitrogens of the aminocarbony group is substituted by a pyridi ne nucleus. It has been shown to exhibit inhibitory activity against Rho-associated protein kinase (ROCK) enzyme. ChEBI CHEBI:75393
    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-10071
      Cell Cycle/DNA Damage; TGF-beta/Smad; MedChem Express HY-10071
      ROCK MedChem Express HY-10071
      Y-27632 is a selective ROCK1 (p160ROCK) inhibitor with Ki of 140 nM, exhibits >200-fold selectivity over other kinases, including PKC, cAMP-dependent protein kinase, MLCK and PAK.; IC50 value: 140 nM (Ki); Target: ROCK1; in vitro: Y-27632 inhibits ROCK-II while displaying little activity against PKC, cAMP-dependent protein kinase and myosin light-chain kinase (MLCK) with Ki of 26 ?M, 25 ?M and > 250 ?M, respectively, as well as PKA activated by another Rho-family GTPase member, Cdc42. MedChem Express HY-10071

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

Density: 1.1±0.1 g/cm3
Boiling Point: 462.6±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 233.6±20.4 °C
Index of Refraction: 1.579
Molar Refractivity: 72.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): -2.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 68 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 217.5±3.0 cm3

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