ChemSpider 2D Image | N-[2-({[(2E)-3-(4-Chlorophenyl)-2-propen-1-yl](methyl)amino}methyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide | C26H29ClN2O4S

N-[2-({[(2E)-3-(4-Chlorophenyl)-2-propen-1-yl](methyl)amino}methyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide

  • Molecular FormulaC26H29ClN2O4S
  • Average mass501.038 Da
  • Monoisotopic mass500.153656 Da
  • ChemSpider ID4471554
  • Double-bond stereo - Double-bond stereo


More details:






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

Benzenesulfonamide, N-[2-[[[(2E)-3-(4-chlorophenyl)-2-propen-1-yl]methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4-methoxy- [ACD/Index Name]
N-[2-({[(2E)-3-(4-Chlorophenyl)-2-propen-1-yl](methyl)amino}methyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide [ACD/IUPAC Name]
N-[2-({[(2E)-3-(4-Chlorophényl)-2-propén-1-yl](méthyl)amino}méthyl)phényl]-N-(2-hydroxyéthyl)-4-méthoxybenzènesulfonamide [French] [ACD/IUPAC Name]
N-[2-({[(2E)-3-(4-Chlorophenyl)prop-2-en-1-yl](methyl)amino}methyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
N-[2-({[(2E)-3-(4-Chlorphenyl)-2-propen-1-yl](methyl)amino}methyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzolsulfonamid [German] [ACD/IUPAC Name]
(2-[N -(2-hydroxyethyl)]-N -(4-methoxybenzenesulfonyl)]amino-N -(4-chlorocinnamyl)-N -methylbenzylamine)
(E)-N-(2-(((3-(4-Chlorophenyl)allyl)(methyl)amino)methyl)phenyl)-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
[139298-40-1]
[2-({[(2E)-3-(4-chlorophenyl)prop-2-enyl]methylamino}methyl)phenyl](2-hydroxyethyl)[(4-methoxyphenyl)sulfonyl]amine
N-[2-[[[3-(4-Chlorophenyl)-2-propenyl]methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4 -methoxybenzenesulphonamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

KN-93 [DBID]
KN 93 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 2566
      H303;H313;H317;H333;H334;H335;H383 Axon Medchem 2566
      no pictogram Axon Medchem 2566
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P350 Axon Medchem 2566
      Warning Axon Medchem 2566
    • Target Organs:

      CaMK inhibitor TargetMol T2697
    • Chemical Class:

      A sulfonamide resulting from the formal condensation of <ital>p</ital>-methoxybenzenesulfonic acid with the anilino nitrogen of 2-(aminomethyl)-<element>N</element>-(2-hydroxyethyl)aniline in which th e hydrogens of the primary amino group have been replaced by methyl and <ital>p</ital>-chlorocinnamyl groups. KN-93 is a selective inhibitor of Ca<smallsup>2+</smallsup>/calmodulin-dependent protein kinase II. ChEBI CHEBI:91460
    • Bio Activity:

      CaM Kinase Tocris Bioscience 1278
      CaM kinase II inhibitor; also K+ channel blocker (KV) Tocris Bioscience 1278
      CaMKII TargetMol T2697
      CaMK-II MedChem Express HY-15465
      Enzymes Tocris Bioscience 1278
      Kinases Tocris Bioscience 1278
      KN-93 is a selective inhibitor of Ca2+/calmodulin-dependent kinase II (CaMKII), competitively blocking CaM binding to the kinase (Ki = 370 nM). MedChem Express http://www.medchemexpress.com/nvp-bvu972.html, HY-15465
      KN-93 is a selective inhibitor of Ca2+/calmodulin-dependent kinase II (CaMKII), competitively blocking CaM binding to the kinase (Ki = 370 nM). ;IC50 Value: 370 nM (Ki); 12uM (NIH3T3 Cell) [1];Target: CaMKII;In vitro: KN-93 inhibits serum-induced fibroblast cell growth in a comparable dose-dependent fashion to its inhibition of CaMK-II activity. After 2 days of KN-93 treatment, 95% of cells are arrested in G1. G1 arrest is reversible; 1 day after KN-93 release, a peak of cells had progressed into S and G2-M. KN-92, a similar but inactive compound, had no effect on CaMK-II activity or cell growth [1]. In contrast effects of carbachol, histamine and forskolin were significantly inhibited by KN-93 with an IC50 of 0.15, 0.3 and 1 microM, respectively; these effects occurred without any changes in intracellular cyclic AMP and Ca2+ levels [2]. KN-93 inhibits expression of the anti-apoptotic protein Mcl-1 and induces expression of the pro-apoptotic protein PUMA; third, KN-93-mediated cell MedChem Express HY-15465
      Neuroscience TargetMol T2697
      Others MedChem Express HY-15465
      Potent, cell permeable inhibitor of CaM kinase II (IC50 = 0.37 ?M). Also a direct extracellular open channel blocker of voltage-gated potassium channels (IC50 = 307 nM for KV1.5) and abolishes IKr in ventricular myocytes (IC50 = 102.6 nM) independently of CaM kinase II inhibition. Water soluble form also available. Tocris Bioscience 1278
      Potent, cell permeable inhibitor of CaM kinase II (IC50 = 0.37 ?M). Also a direct extracellular open channel blocker of voltage-gated potassium channels (IC50 = 307 nM for KV1.5); independent of CaM k inase II inhibition. Water soluble form also available. Tocris Bioscience 1278
      Potent, cell permeable inhibitor of CaM kinase II (IC50 = 0.37 muM). Also a direct extracellular open channel blocker of voltage-gated potassium channels (IC50 = 307 nM for KV1.5) and abolishes IKr in ventricular myocytes (IC50 = 102.6 nM) independently of CaM kinase II inhibition. Water soluble form also available. Tocris Bioscience 1278
      Potent, cell permeable inhibitor of CaM kinase II (IC50 = 0.37 muM). Also a direct extracellular open channel blocker of voltage-gated potassium channels (IC50 = 307 nM for KV1.5) and abolishes IKr in ventricular myocytes (IC50 = 102.6 nM) independently of CaM kinase II inhibition. Water soluble form and Negative Control also available. Tocris Bioscience 1278

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

Density: 1.3±0.1 g/cm3
Boiling Point: 657.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 351.5±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 137.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 27.98
ACD/KOC (pH 5.5): 127.68
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 804.86
ACD/KOC (pH 7.4): 3673.38
Polar Surface Area: 78 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 389.0±3.0 cm3

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