ChemSpider 2D Image | Macitentan | C19H20Br2N6O4S

Macitentan

  • Molecular FormulaC19H20Br2N6O4S
  • Average mass588.273 Da
  • Monoisotopic mass585.963318 Da
  • ChemSpider ID13134960

More details:

Featured data source
The Merck Index Online

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

{[5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl]sulfamoyl}(propyl)amine
441798-33-0 [RN]
ACT-064992
Diamide N-[5-(4-bromophényl)-6-{2-[(5-bromo-2-pyrimidinyl)oxy]éthoxy}-4-pyrimidinyl]-N'-propylsulfurique [French] [ACD/IUPAC Name]
macitentan [French] [INN]
Macitentan [INN] [Wiki]
macitentán [Spanish] [INN]
macitentanum [Latin] [INN]
N-[5-(4- bromophenyl)-6-(2-(5-bromopyrimidin-2-yloxy)ethoxy)- pyrimidin-4-yl]-N-propylaminosulfonamide
N-[5-(4-Bromophenyl)-6-{2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy}-4-pyrimidinyl]-N'-propylsulfuric diamide [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9018 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      Endothelin Receptor antagonist TargetMol T2561

    • Chemical Class:

      A member of the class of sulfamides in which the two amino groups of sulfonamide are substituted by 5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl and propyl groups. An orpha n drug used for the treatment of pulmonary arterial hypertension. ChEBI CHEBI:76607

    • Bio Activity:

      Endothelin Receptor MedChem Express HY-14184
      ET-A/ET-B TargetMol T2561
      GPCR/G protein MedChem Express HY-14184
      GPCR/G Protein TargetMol T2561
      GPCR/G protein; MedChem Express HY-14184
      Macitentan(ACT064992) is an orally active, non-peptide dual endothelin ETA and ETB receptor antagonist for the potential treatment of idiopathic pulmonary fibrosis (IPF) and pulmonary arterial hyperte nsion (PAH). MedChem Express
      Macitentan(ACT064992) is an orally active, non-peptide dual endothelin ETA and ETB receptor antagonist for the potential treatment of idiopathic pulmonary fibrosis (IPF) and pulmonary arterial hypertension (PAH).; IC50 value: ; Target: ETA/ETB receptor MedChem Express HY-14184
      Macitentan(ACT064992) is an orally active, non-peptide dual endothelin ETA and ETB receptor antagonist for the potential treatment of idiopathic pulmonary fibrosis (IPF) and pulmonary arterial hypertension (PAH).;IC50 value: ;Target: ETA/ETB receptor MedChem Express HY-14184

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

Density: 1.7±0.1 g/cm3
Boiling Point: 692.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 372.5±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 125.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 97.60
ACD/KOC (pH 5.5): 524.87
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 8.44
ACD/KOC (pH 7.4): 45.40
Polar Surface Area: 137 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 351.2±3.0 cm3

Click to predict properties on the Chemicalize site


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