394207-67-1

Basic information

• Product Name: Propanedioic acid, (4-ethylphenyl)-, dimethyl ester
• CAS NO: 394207-67-1
• Molecular Formula: C13H16O4
• Molecular Weight: 236.268
• Mol File: 394207-67-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Propanedioic acid, (4-ethylphenyl)-, dimethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Propanedioic acid, (4-ethylphenyl)-, dimethyl ester(394207-67-1)
• EPA Substance Registry System: Propanedioic acid, (4-ethylphenyl)-, dimethyl ester(394207-67-1)

Safety Data

• Hazardous Substances Data: 394207-67-1(Hazardous Substances Data)

Upstream product

• 14387-10-1 (4-ethyl-phenyl)-acetic acid 
• 616-38-6 carbonic acid dimethyl ester 
• 36207-10-0 (4-Ethyl-phenyl)-acetic acid methyl ester 

Downstream Products

• 441797-35-9 C₁₉H₁₉ClN₄O₂S 
• 441795-37-5 C₂₁H₂₄N₄O₄S 
• 146533-39-3 4,6-dichloro-5-(4-ethyl-phenyl)-pyrimidine 
• 441795-38-6 C₂₅H₂₅BrN₆O₄S 

Relevant articles and documents

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

Starting from the structure of bosentan (1), we embarked on a medicinal chemistry program aiming at the identification of novel potent dual endothelin receptor antagonists with high oral efficacy. This led to the discovery of a novel series of alkyl sulfamide substituted pyrimidines. Among these, compound 17 (macitentan, ACT-064992) emerged as particularly interesting as it is a potent inhibitor of ETA with significant affinity for the ET B receptor and shows excellent pharmacokinetic properties and high in vivo efficacy in hypertensive Dahl salt-sensitive rats. Compound 17 successfully completed a long-term phase III clinical trial for pulmonary arterial hypertension.