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Search term: OWHBVKBNNRYMIN-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | ML355 | C21H19N3O4S2

ML355

  • Molecular FormulaC21H19N3O4S2
  • Average mass441.523 Da
  • Monoisotopic mass441.081696 Da
  • ChemSpider ID31139867

More details:

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

1532593-30-8 [RN]
Benzenesulfonamide, N-2-benzothiazolyl-4-[[(2-hydroxy-3-methoxyphenyl)methyl]amino]- [ACD/Index Name]
ML355
N-(1,3-Benzothiazol-2-yl)-4-[(2-hydroxy-3-methoxybenzyl)amino]benzenesulfonamide [ACD/IUPAC Name]
N-(1,3-Benzothiazol-2-yl)-4-[(2-hydroxy-3-méthoxybenzyl)amino]benzènesulfonamide [French] [ACD/IUPAC Name]
N-(1,3-Benzothiazol-2-yl)-4-[(2-hydroxy-3-methoxybenzyl)amino]benzolsulfonamid [German] [ACD/IUPAC Name]
N-(1,3-benzothiazol-2-yl)-4-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}benzene-1-sulfonamide
N-(1,3-benzothiazol-2-yl)-4-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}benzenesulfonamide
BS-15552
MFCD28167822
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      5-Lipoxygenase MedChem Express HY-12341
      Metabolism/Protease MedChem Express HY-12341
      Metabolism/Protease; MedChem Express HY-12341
      ML355 is a potent and selective inhibitors of 12-Lipoxygenase(12-LOX) with IC50 of 0.34 uM, excellent selectivity over related lipoxygenases and cyclooxygenases, and possess favorable ADME properties.; IC50 value: 0.34 uM [1]; Target: 12-LOX; ML355 inhibits PAR-4 induced aggregation and calcium mobilization in human platelets and reduce 12-HETE in ?-cells. MedChem Express HY-12341

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 654.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 349.6±34.3 °C
Index of Refraction: 1.725
Molar Refractivity: 118.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 520.07
ACD/KOC (pH 5.5): 3051.43
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 290.75
ACD/KOC (pH 7.4): 1705.95
Polar Surface Area: 137 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 77.8±3.0 dyne/cm
Molar Volume: 298.0±3.0 cm3

Click to predict properties on the Chemicalize site


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