Chem
J-GLOBAL ID：200907047383134850   Nikkaji number：J2.207.168H

NKX-2587

NKX-2587
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： C27H26N2O4S
Molecular formula furigana： C27-H26-N2-O4-S
Molecular weight： 474.580
InChI： InChI=1S/C27H26N2O4S/c1-26(2)7-9-29-10-8-27(3,4)21-22(29)19(26)13-15-12-18(25(32)33-23(15)21)20-6-5-17(34-20)11-16(14-28)24(30)31/h5-6,11-13H,7-10H2,1-4H3,(H,30,31)
InChI key： GZIOPASHOUHBJY-UHFFFAOYSA-N
SMILES： CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(c2ccc(C=C(C#N)C(=O)O)s2)c(=O)oc31
Systematic name  (6)：
  • 3-[5-[(1,1,7,7-テトラメチル-11-オキソ-2,3,6,7-テトラヒドロ-1H,5H,11H-[1]ベンゾピラノ[6,7,8-ij]キノリジン)-10-イル]-2-チエニル]-2-シアノプロペン酸
  • 5-(11-オキソ-1,1,7,7-テトラメチル1,2,3,5,6,7-ヘキサヒドロ-11H-[1]ベンゾピラノ[6,7,8-ij]キノリジン-10-イル)-α-シアノチオフェン-2-アクリル酸
  • 2-シアノ-3-[5-(1,1,6,6-テトラメチル-2,3,5,6-テトラヒドロ-10-オキソ-4H,10H-3a-アザ-11-オキサ-1H-ベンゾ[de]アントラセン-9-イル)-2-チエニル]アクリル酸
  • 3-[5-[6-オキソ-10,10,16,16-テトラメチル-7-オキサ-13-アザテトラシクロ[7.7.1.03,8.013,17]ヘプタデカン-1(17),2,4,8-テトラエン-5-イル]-2-チエニル]-2-シアノプロペン酸
  • 2-シアノ-3-(5-{10,10,16,16-テトラメチル-4-オキソ-3-オキサ-13-アザテトラシクロ[7.7.1.02,7.013,17]ヘプタデカ-1,5,7,9(17)-テトラエン-5-イル}チオフェン-2-イル)プロパ-2-エン酸
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Other name (5)：
  • 3-[5-[(1,1,7,7-Tetramethyl-11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizine)-10-yl]-2-thienyl]-2-cyanopropenoic acid
  • NKX-2587
  • 5-(11-Oxo-1,1,7,7-tetramethyl 1,2,3,5,6,7-hexahydro-11H-[1]benzopyrano[6,7,8-ij]quinolizine-10-yl)-α-cyanothiophene-2-acrylic acid
  • 2-Cyano-3-[5-(1,1,6,6-tetramethyl-2,3,5,6-tetrahydro-10-oxo-4H,10H-3a-aza-11-oxa-1H-benzo[de]anthracene-9-yl)-2-thienyl]acrylic acid
  • 3-[5-[6-Oxo-10,10,16,16-tetramethyl-7-oxa-13-azatetracyclo[7.7.1.03,8.013,17]heptadecane-1(17),2,4,8-tetraene-5-yl]-2-thienyl]-2-cyanopropenoic acid
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