ChemSpider 2D Image | MS436 | C18H17N5O3S

MS436

  • Molecular FormulaC18H17N5O3S
  • Average mass383.424 Da
  • Monoisotopic mass383.105194 Da
  • ChemSpider ID31144280
  • Double-bond stereo - Double-bond stereo


More details:






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

1395084-25-9 [RN]
4-[(1E)-2-(2-amino-4-hydroxy-5-methylphenyl)diazen-1-yl]-N-(pyridin-2-yl)benzene-1-sulfonamide
4-[(1E)-2-(2-amino-4-hydroxy-5-methylphenyl)diazen-1-yl]-N-(pyridin-2-yl)benzenesulfonamide
4-[(E)-(2-Amino-4-hydroxy-5-methylphenyl)diazenyl]-N-(2-pyridinyl)benzenesulfonamide [ACD/IUPAC Name]
4-[(E)-(2-Amino-4-hydroxy-5-méthylphényl)diazényl]-N-(2-pyridinyl)benzènesulfonamide [French] [ACD/IUPAC Name]
4-[(E)-(2-Amino-4-hydroxy-5-methylphenyl)diazenyl]-N-(2-pyridinyl)benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[(E)-2-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-N-2-pyridinyl- [ACD/Index Name]
MS436
(E)-4-((2-Amino-4-hydroxy-5-methylphenyl)diazenyl)-N-(pyridin-2-yl)benzenesulfonamide
(E)-4-[2-(2-Amino-4-hydroxy-5-methylphenyl)diazenyl]-N-2-pyridinylbenzenesulfonamide
More...

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

CCRIS 4693 [DBID]
  • References
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      Sold under license from Icahn School of Medicine at Mount Sinai. Tocris Bioscience 5173
    • Bio Activity:

      BET bromodomain MedChem Express HY-13959
      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio [HB1450]
      Bromodomains Tocris Bioscience 5173
      Cell Biology Tocris Bioscience 5173
      Cell Cycle/DNA Damage MedChem Express HY-13959
      Cell Cycle/DNA Damage; MedChem Express HY-13959
      Epigenetics Tocris Bioscience 5173
      MS436 is a diazobenzene-based small-molecule inhibitor for the BRD4 bromodomains with a Ki value of 30-50 nM. MedChem Express
      MS436 is a diazobenzene-based small-molecule inhibitor for the BRD4 bromodomains with a Ki value of 30-50 nM.; IC50 Value: 30-50 nM (Ki) [1]; Target: BRD4 bromodomain; MS436 exhibits low nanomolar affinity (estimated Ki of 30-50 nM), with preference for the first bromodomain over the second. MedChem Express HY-13959
      Potent and selective BRD4 bromodomain inhibitor (K<sub>i</sub> = 30-50 nM). Selective for the first over the second bromodomain. Inhibits the activity of BRD4 in macrophage nitric oxide and Il-6 production. Alters colony integrity in embryonic stem cells. Shows antiproliferative and anticancer actions. Hello Bio [HB1450]
      Potent and selective BRD4 bromodomain inhibitor (Ki = 30 - 50 nM for the first bromodomain (BRD4(1)). Exhibits 10-fold selectivity for BRD4(1) over BRD4(2). Blocks BRD4 transcriptional activity in lip opolysaccharide-induced production of both nitric oxide and IL-6 in mouse macrophages (IC50 values are 3.8 and 4.9 ?M, respectively). Attenuates melanoma cell proliferation in vitro. Tocris Bioscience 5173
      Potent and selective BRD4 bromodomain inhibitor (Ki = 30 - 50 nM for the first bromodomain (BRD4(1)). Exhibits 10-fold selectivity for BRD4(1) over BRD4(2). Blocks BRD4 transcriptional activity in lipopolysaccharide-induced production of both nitric oxide and IL-6 in mouse macrophages (IC50 values are 3.8 and 4.9 ?M, respectively). Attenuates melanoma cell proliferation in vitro. Tocris Bioscience 5173
      Potent and selective BRD4 bromodomain inhibitor (Ki = 30 - 50 nM for the first bromodomain (BRD4(1)). Exhibits 10-fold selectivity for BRD4(1) over BRD4(2). Blocks BRD4 transcriptional activity in lipopolysaccharide-induced production of both nitric oxide and IL-6 in mouse macrophages (IC50 values are 3.8 and 4.9 muM, respectively). Attenuates melanoma cell proliferation in vitro. Tocris Bioscience 5173
      Potent and selective BRD4(1) inhibitor Tocris Bioscience 5173
      Potent, selective BRD4 bromodomain inhibitor Hello Bio [HB1450]
      Proteins - Other/Histones/Bromodomain Hello Bio [HB1450]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 673.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 361.3±34.3 °C
Index of Refraction: 1.686
Molar Refractivity: 102.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 62.45
ACD/KOC (pH 5.5): 671.16
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.09
ACD/KOC (pH 7.4): 656.49
Polar Surface Area: 138 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 60.5±7.0 dyne/cm
Molar Volume: 269.1±7.0 cm3

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