N-[(2S)-1-[4-[(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]-3-hydroxypropanoyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide（CAS番号：942206-85-1）

N-[(2S)-1-[4-[(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]-3-hydroxypropanoyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide

基本情報

編集器で閲覧

CAS番号

942206-85-1

分子式

C28H32Cl2N4O6S2

分子量

655.63 g/mol

化学分類

基礎化学原料有機化学品カルボン酸類

基礎化学原料有機化学品複素環化合物

医薬化学品医薬中間体複素環中間体

精密化学品染料および顔料有機染料

精密化学品界面活性剤アニオン性界面活性剤

農業化学品農薬除草剤

実験室化学品研究用化学品生化学試薬

基本的な物理特性

密度

1.426±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

編集器で閲覧

CC(C)CC(C(=O)N1CCN(CC1)C(=O)C(CO)NS(=O)(=O)C2=C(C=C(C=C2)Cl)Cl)NC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C28H32Cl2N4O6S2/c1-17(2)13-21(31-26(36)24-14-18-5-3-4-6-23(18)41-24)27(37)33-9-11-34(12-10-33)28(38)22(16-35)32-42(39,40)25-8-7-19(29)15-20(25)30/h3-8,14-15,17,21-22,32,35H,9-13,16H2,1-2H3,(H,31,36)/t21-,22-/m0/s1

InChIKey

IVYQPSHHYIAUFO-VXKWHMMOSA-N

LogP

3.362800000000002

トポロジカル極性表面積

136.12 Å²

水素結合ドナー/アクセプター

3 / 10

複雑度

1070

同義語と引用データ

英語

GSK 1016790A
N-((S)-1-(4-((S)-2-(2,4-dichlorophenylsulfonaMido)-3-hydroxypropanoyl)piperazin-1-yl)-4-Methyl-1-oxopentan-2-yl)benzo[b]thiophene-2-carboxaMide
N-[(2S)-1-[4-[(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]-3-hydroxypropanoyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide
GSK-1016790A
(N-((1S)-1-{[4-((2S)-2-{[(2,4-Dichlorophenyl)sulfonyl]amino}-3-hydroxypropanoyl)-1-piperazinyl]carbonyl}-3-methylbutyl)-1-benzothiophene-2-carboxamide
GSK1016790A
N-[(1S)-1-[[4-[(2S)-2-[[(2,4-Dichlorophenyl)sulfonyl]amino]-3-hydroxy-1-oxopropyl]-1-piperazinyl]carbonyl]-3-methylbutyl]benzo[b]thiophene-2-carboxamide (ACI)
GSK 10116790A
N-[(1S)-1-[[4-[(2S)-2-[[(2,4-Dichlorophenyl)sulfonyl]amino]-3-hydroxypropanoyl]-1-piperazinyl]carbonyl]-3-methylbutyl]-1-benzothiophene-2-carboxamide
XQ3
SCHEMBL5007988
E73440
CHEBI:140524
CS-5660
Q27077862
N-((1s)-1-{[4-((2s)-2-{[(2,4-dichlorophenyl)sulfonyl]amino}-3-hydroxypropanoyl)-1-piperazinyl]carbonyl}-3-methyl-butyl)-1-benzothiophene-2-carboxamide
DTXSID30635248
N-[(2S)-1-(4-{N-[(2,4-dichlorophenyl)sulfonyl]-L-seryl}piperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide
942206-85-1
IVYQPSHHYIAUFO-VXKWHMMOSA-N
GTPL4205
GSK1016790A, >=98% (HPLC)
N-((1S)-1-{[4-((2S)-2-{[(2,4-dichlorophenyl)sulfonyl]amino}-3-hydroxypropanoyl)-1-piperazinyl]carbonyl}-3-methylbutyl)-1-benzothiophene-2-carboxamide
GSK1016790A?
AC-33152
N-[(2S)-1-{4-[(2S)-2-{[(2,4-dichlorophenyl)sulfonyl]amino}-3-hydroxypropanoyl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide
N-[(2S)-1-{4-[(2S)-2-(2,4-dichlorobenzenesulfonamido)-3-hydroxypropanoyl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide
CCG-270334
EX-A1885
AKOS030527025
BS-52116