Birinapant（CAS番号：1260251-31-7）

Birinapant

基本情報

編集器で閲覧

CAS番号

1260251-31-7

分子式

C42H56F2N8O6

分子量

806.96 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

精密化学品特殊化学品紫外線安定剤

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

SMILES

編集器で閲覧

CCC(C(=O)N1CC(CC1CC2=C(NC3=C2C=CC(=C3)F)C4=C(C5=C(N4)C=C(C=C5)F)CC6CC(CN6C(=O)C(CC)NC(=O)C(C)NC)O)O)NC(=O)C(C)NC

InChI

InChI=1S/C42H56F2N8O6/c1-7-33(49-39(55)21(3)45-5)41(57)51-19-27(53)15-25(51)17-31-29-11-9-23(43)13-35(29)47-37(31)38-32(30-12-10-24(44)14-36(30)48-38)18-26-16-28(54)20-52(26)42(58)34(8-2)50-40(56)22(4)46-6/h9-14,21-22,25-28,33-34,45-48,53-54H,7-8,15-20H2,1-6H3,(H,49,55)(H,50,56)/t21-,22-,25-,26-,27-,28-,33-,34-/m0/s1

InChIKey

PKWRMUKBEYJEIX-DXXQBUJASA-N

LogP

2.608400000000004

トポロジカル極性表面積

194.92 Å²

水素結合ドナー/アクセプター

8 / 14

複雑度

1350

同義語と引用データ

英語

(2S)-N-[(2S)-1-[(2R,4S)-2-[[6-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-hydroxy-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]-1H-indol-3-yl]methyl]-4-hydroxypy
Birinapant
TL32711
TL-32711
(2S,2'S)-N,N'-[(6,6'-Difluoro[2,2'-bi-1H-indole]-3,3'-diyl)bis[methylene[(2R,4S)-4-hydroxy-2,1-pyrrolidinediyl][(1S)-1-ethyl-2-oxo-2,1-ethanediyl]]]bis[2-(methylamino)-propanamide
Birinapant (TL32711)
TL 32711
6O4Z07B57R
(2S)-N-[(2S)-1-[(2R,4S)-2-[[6-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-hydroxy-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide
(2s,2's)-N,N'-[(6,6'-Difluoro-1h,1'h-2,2'-Biindole-3,3'-Diyl)bis{methanediyl[(2r,4s)-4-Hydroxypyrrolidine-2,1-Diyl][(2s)-1-Oxobutane-1,2-Diyl]}
Birinapant [USAN:INN]
SCHEMBL10049847
AKOS030526366
CHEBI:177705
GTPL7432
AS-17035
AC-32868
CS-1719
(2S,2'S)-N,N'-((2S,2'S)-((3S,3'S,5R,5'R)-5,5'-((6,6'-difluoro-1H,1'H-[2,2'-biindole]-3,3'-diyl)bis(methylene))bis(3-hydroxypyrrolidine-5,1-diyl))bis(1-oxobutane-2,1-diyl))bis(2-(methylamino)propanamide)
NSC-767128
Q27075298
BIRINAPANT [INN]
(2s,2's)-N,N'-[(6,6'-Difluoro-1h,1'h-2,2'-Biindole-3,3'-Diyl)bis{methanediyl[(2r,4s)-4-Hydroxypyrrolidine-2,1-Diyl][(2s)-1-Oxobutane-1,2-Diyl]}]bis[2-(Methylamino)propanamide]
Birinapant (TL32711)?
NSC767128
DB11782
PROPANAMIDE, N,N'-((6,6'-DIFLUORO(2,2'-BI-1H-INDOLE)-3,3'-DIYL)BIS(METHYLENE((2R,4S)-4-HYDROXY-2,1-PYRROLIDINEDIYL)((1S)-1-ETHYL-2-OXO-2,1-ETHANEDIYL)))BIS(2-(METHYLAMINO)-, (2S,2'S)-
UNII-6O4Z07B57R
N,N'-((6,6'-DIFLUORO(1H,1'H-2,2'-BIINDOLE)- 3,3'-DIYL)BIS(METHYLENE((2R,4S)-4-HYDROXYPYRROLIDINE-2,1-DIYL)((2S)-1- OXOBUTANE-1,2-DIYL) BIS((2S)-2-(METHYLAMINO)PROPANAMIDE)
MFCD25976869
BIRINAPANT [WHO-DD]