O-Desbromo-pyrimidinyl O-[6-N-(N'-propyl)sulfamido-5-(4-bromophenyl)pyrimidin-4-yl] Macitentan

CAS: 2089065-77-8

Ref. TR-D282005

Informação sobre produto

• Nome: O-Desbromo-pyrimidinyl O-[6-N-(N'-propyl)sulfamido-5-(4-bromophenyl)pyrimidin-4-yl] Macitentan
• Sinónimos: Sulfamide, N,N''-[1,2-ethanediylbis[oxy[5-(4-bromophenyl)-6,4-pyrimidinediyl]]]bis[N'-propyl-, 5-(4-bromophenyl)-6-[2-[5-(4-bromophenyl)-6-(propylsulfamoylamino)pyrimidin-4-yl]oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine

Descrição

Applications O-Desbromo-pyrimidinyl O-[6-N-(N'-propyl)sulfamido-5-(4-bromophenyl)pyrimidin-4-yl] Macitentan is an impurity of Macitentan (M105005); a dual orally active and potent endothelin receptor antagonist used for pulmonary arterial hypertension.
References Emoto, N. Ensho to Men'eki, 20, 487 (2012); Bruderer, S., et al.: Xenobiotica, 42, 901 (2012); Bolli, M.H., et al.: J. Med. Chem., 55, 7849 (2012)

• Marca: TRC

Propriedades químicas

• Peso molecular: 800.54
• Fórmula: C₂₈H₃₂Br₂N₈O₆S₂
• Cor/forma: Neat
• InChI: InChI=1S/C28H32Br2N8O6S2/c1-3-13-35-45(39,40)37-25-23(19-5-9-21(29)10-6-19)27(33-17-31-25)43-15-16-44-28-24(20-7-11-22(30)12-8-20)26(32-18-34-28)38-46(41,42)36-14-4-2/h5-12,17-18,35-36H,3-4,13-16H2,1-2H3,(H,31,33,37)(H,32,34,38)
• Chave InChI: InChIKey=AHHRKAUBXBVVDS-UHFFFAOYSA-N
• SMILES: CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncnc(NS(=O)(=O)NCCC)c2-c2ccc(Br)cc2)c1-c1ccc(Br)cc1