百科

Tilivalline

CAS号：80279-24-9

英文名：(11S,11aS)-9-Hydroxy-11-(1H-indol-3-yl)-1,2,3,10,11,11a-hexahydro -5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one

分子式

C20H19N3O2

熔点

密度

1.43g/cm3

分子量

333.384

沸点

649.9ºC at 760 mmHg

溶解度

信号词

危险品标志

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化合物简介

Tilivalline, is a metabolite from Klebsiella oxytoca. Tilivalline, is shown to be cytotoxin, and the key event causing Antibiotic-Associated Hemorrhagic Colitis.

基本信息

中文名称

Tilivalline

英文名称

(11S,11aS)-9-Hydroxy-11-(1H-indol-3-yl)-1,2,3,10,11,11a-hexahydro -5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one

中文别名

英文别名

Tilifodiolide、Naphtho(1,2-c)furan-3(1H)-one,8-(2,5-dihydro-2-oxo-3-furanyl)-1-(3-furanyl)-6,7,8,9-tetrahydro-,(1R-cis)、tilivalline

CAS号

80279-24-9

分子式

C20H19N3O2

分子量

333.384

精确质量

333.148

PSA

68.36

LOGP

3.7208

物化性质

密度

1.43g/cm3

沸点

649.9ºC at 760 mmHg

闪点

346.8ºC

折射率

1.76

合成路线

125299-55-0

(+)-(11S,11aS)-1,2,3,10,11,11a-hexahydro-9-(benzyloxy)-10-carbobenzyloxy-11-(3'-indolyl)-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one

上游原料

(+)-(11aS)-1,2,3,10,11,11a-hexahydro-9-(benzyloxy)-5H-pyrrolo<2,1-c><1,4>benzodiazepin-5,11-dione

69610-41-9

(S)-N-Boc-吡咯烷-2-甲醛 N-(叔丁氧羰基)-L-脯氨醛

69610-40-8

N-Boc-L-脯氨醇

110562-19-1

tert-butoxycarbonyl-L-prolinal dimethyl acetal

82354-29-8

(2S)-2-pyrrolidinyl-3'-indolyl ketone

120-72-9

吲哚

上游原料

(+)-(11aS)-1,2,3,10,11,11a-hexahydro-9-(benzyloxy)-5H-pyrrolo<2,1-c><1,4>benzodiazepin-5,11-dione (S)-N-Boc-吡咯烷-2-甲醛 N-(叔丁氧羰基)-L-脯氨醛 N-Boc-L-脯氨醇 tert-butoxycarbonyl-L-prolinal dimethyl acetal (2S)-2-pyrrolidinyl-3'-indolyl ketone 吲哚 (11aS)-benzyl 9-(benzyloxy)-11-hydroxy-5-oxo-2,3,11,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10(5H)-carboxylate (S)-(2-amino-3-hydroxyphenyl)(2-(dimethoxymethyl)pyrrolidin-1-yl)methanone (11aS)-1,2,3,10,11,11a-hexahydro-9-(benzyloxy)-10-(benzyloxycarbonyl)-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5,11-dione (+)-(11aS)-1,2,3,10,11,11a-hexahydro-9-(benzyloxy)-10-(benzyloxycarbonyl)-11-hydroxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one O-benzyltilivalline 2-amino-3-phenylmethoxybenzoic acid (+)-(11S,11aS)-1,2,3,10,11,11a-hexahydro-9-(benzyloxy)-10-carbobenzyloxy-11-(3'-indolyl)-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one Cbz-Pro-L-prolinal dimethyl acetal Boc-L-脯氨酸甲酯 (S)-(2-amino-3-(benzyloxy)phenyl)(2-(dimethoxymethyl)pyrrolidin-1-yl)methanone (2S)-N-(3-benzyloxy-2-nitrobenzoyl)-2-pyrrolidinyl-3'-indolyl ketone (2S)-N-苄氧羰基-2-吡咯烷甲醛