Home Halogens N-[5-(4-Bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-N'-propylsulfamide

N-[5-(4-Bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-N'-propylsulfamide

CAS No.:
441798-33-0
Catalog Number:
AG0039NE
Molecular Formula:
C19H20Br2N6O4S
Molecular Weight:
588.2729
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
95%
In Stock USA
United States
$87
- +
10mg
95%
In Stock USA
United States
$116
- +
50mg
95%
In Stock USA
United States
$158
- +
100mg
95%
In Stock USA
United States
$228
- +
Product Description
Catalog Number:
AG0039NE
Chemical Name:
N-[5-(4-Bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-N'-propylsulfamide
CAS Number:
441798-33-0
Molecular Formula:
C19H20Br2N6O4S
Molecular Weight:
588.2729
MDL Number:
MFCD17167076
IUPAC Name:
5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine
InChI:
InChI=1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27)
InChI Key:
JGCMEBMXRHSZKX-UHFFFAOYSA-N
SMILES:
CCCNS(=O)(=O)Nc1ncnc(c1c1ccc(cc1)Br)OCCOc1ncc(cn1)Br
UNII:
Z9K9Y9WMVL
Properties
Complexity:
642  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
587.961g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
588.275g/mol
Monoisotopic Mass:
585.963g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
From the Cover: MechanisticInsights in Cytotoxic and Cholestatic Potential of the Endothelial Receptor Antagonists Using HepaRG Cells. Toxicological sciences : an official journal of the Society of Toxicology 20170601
Endothelin-1 receptor antagonists in fetal development and pulmonary arterial hypertension. Reproductive toxicology (Elmsford, N.Y.) 20150815
Pathways in pulmonary arterial hypertension: the future is here. European respiratory review : an official journal of the European Respiratory Society 20121201
Renal, retinal and cardiac changes in type 2 diabetes are attenuated by macitentan, a dual endothelin receptor antagonist. Life sciences 20121015
The discovery of N-[5-(4-bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-N'-propylsulfamide (Macitentan), an orally active, potent dual endothelin receptor antagonist. Journal of medicinal chemistry 20120913
Effect of cyclosporine and rifampin on the pharmacokinetics of macitentan, a tissue-targeting dual endothelin receptor antagonist. The AAPS journal 20120301
Slow receptor dissociation kinetics differentiate macitentan from other endothelin receptor antagonists in pulmonary arterial smooth muscle cells. PloS one 20120101
Macitentan: entry-into-humans study with a new endothelin receptor antagonist. European journal of clinical pharmacology 20111001
Macitentan (ACT-064992), a tissue-targeting endothelin receptor antagonist, enhances therapeutic efficacy of paclitaxel by modulating survival pathways in orthotopic models of metastatic human ovarian cancer. Neoplasia (New York, N.Y.) 20110201
Macitentan, a tissue-targeting endothelin receptor antagonist for the potential oral treatment of pulmonary arterial hypertension and idiopathic pulmonary fibrosis. Current opinion in investigational drugs (London, England : 2000) 20100901
Comparison of the dissolution and pharmacokinetic profiles of two galenical formulations of the endothelin receptor antagonist macitentan. European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences 20091105
Pharmacology of macitentan, an orally active tissue-targeting dual endothelin receptor antagonist. The Journal of pharmacology and experimental therapeutics 20081201
Properties