Chem
J-GLOBAL ID：200907098672662168   Nikkaji number：J1.521.189J

K-8794

K-8794
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C36H38N6O6S
Molecular formula furigana： C36-H38-N6-O6-S
Molecular weight： 682.800
InChI： InChI=1S/C36H38N6O6S/c1-23-11-9-12-24(2)30(23)39-29(43)19-22-47-35-31(48-28-14-8-7-13-27(28)46-6)32(40-34(41-35)33-37-20-10-21-38-33)42-49(44,45)26-17-15-25(16-18-26)36(3,4)5/h7-18,20-21H,19,22H2,1-6H3,(H,39,43)(H,40,41,42)
InChI key： MTNFANNLCUMCNB-UHFFFAOYSA-N
SMILES： COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCC(=O)Nc1c(C)cccc1C)c1ncccn1
Systematic name  (3)：
  • N-(2,6-ジメチルフェニル)-3-[2-(2-ピリミジニル)-5-(2-メトキシフェノキシ)-6-(4-tert-ブチルフェニルスルホニルアミノ)ピリミジン-4-イルオキシ]プロパンアミド
  • 3-{[6-(4-tert-ブチルベンゼンスルホンアミド)-5-(2-メトキシフェノキシ)-[2,2'-ビピリミジン]-4-イル]オキシ}-N-(2,6-ジメチルフェニル)プロパンアミド
  • 3-{[6-(4-tert-butylbenzenesulfonamido)-5-(2-methoxyphenoxy)-[2,2'-bipyrimidin]-4-yl]oxy}-N-(2,6-dimethylphenyl)propanamide
Other name (2)：
  • N-(2,6-Dimethylphenyl)-3-[2-(2-pyrimidinyl)-5-(2-methoxyphenoxy)-6-(4-tert-butylphenylsulfonylamino)pyrimidine-4-yloxy]propanamide
  • K-8794
CAS registry number： 319017-56-6
Application (2)：
endothelin antagonist ,  vasoactive drug
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