Chem
J-GLOBAL ID：200907008943066796   Nikkaji number：J364.035C

MK-571

MK-571
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： C26H27ClN2O3S2
Molecular formula furigana： C26-H27-CL-N2-O3-S2
Molecular weight： 515.080
InChI： InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+
InChI key： AXUZQJFHDNNPFG-UXBLZVDNSA-N
SMILES： CN(C)C(=O)CCSC(SCCC(=O)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
Systematic name  (5)：
  • 3-[[[3-[(E)-2-(7-クロロキノリン-2-イル)エテニル]フェニル][[3-(ジメチルアミノ)-3-オキソプロピル]チオ]メチル]チオ]プロパン酸
  • 3-[[[3-[(E)-2-(7-クロロ-2-キノリニル)エテニル]フェニル][[3-(ジメチルアミノ)-3-オキソプロピル]チオ]メチル]チオ]プロパン酸
  • 3-[[[3-[(E)-2-(7-クロロキノリン-2-イル)エテニル]フェニル][[3-(ジメチルアミノ)-3-オキソプロピル]チオ]メチル]チオ]プロピオン酸
  • 3-[({3-[(1E)-2-(7-クロロキノリン-2-イル)エテニル]フェニル}({[2-(ジメチルカルバモイル)エチル]スルファニル})メチル)スルファニル]プロパン酸
  • 3-[({3-[(1E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}({[2-(dimethylcarbamoyl)ethyl]sulfanyl})methyl)sulfanyl]propanoic acid
Other name (5)：
  • MK-571
  • L-660711
  • 3-[[[3-[(E)-2-(7-Chloroquinolin-2-yl)ethenyl]phenyl][[3-(dimethylamino)-3-oxopropyl]thio]methyl]thio]propionic acid
  • 3-[[[3-[(E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl][[3-(dimethylamino)-3-oxopropyl]thio]methyl]thio]propanoic acid
  • 3-[[[3-[(E)-2-(7-Chloroquinolin-2-yl)ethenyl]phenyl][[3-(dimethylamino)-3-oxopropyl]thio]methyl]thio]propanoic acid
CAS registry number： 115104-28-4
KEGG COMPOUND： C11239
Application (2)：
bronchodilator ,  leukotriene antagonist
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