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Merck
CN

912654

N-(3,5-Bis(trifluoromethyl)phenyl)-2-chloroacetamide

≥95%

别名:

N-Chloroacetyl-3,5-bis(trifluoromethyl)aniline, Electrophilic scout fragment, KB03, Scout fragment for targetable cysteine

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关于此项目

经验公式(希尔记法):
C10H6ClF6NO
化学文摘社编号:
分子量:
305.60
UNSPSC Code:
12352200
MDL number:
Assay:
≥95%
Form:
powder
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assay

≥95%

form

powder

InChI

1S/C10H6ClF6NO/c11-4-8(19)18-7-2-5(9(12,13)14)1-6(3-7)10(15,16)17/h1-3H,4H2,(H,18,19)

InChI key

LEYIUTOAQOUAFG-UHFFFAOYSA-N

Application

2-Chloro-1-(6-methoxy-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one is a cysteine-reactive small-molecule fragment for chemoproteomic and ligandability studies for both traditionally druggable proteins as well as "undruggable," or difficult-to-target, proteins. This fragment electrophile, or "scout" fragment, can be used alone in fragment-based covalent ligand discovery or incorporated into bifunctional tools such as electrophilic PROTAC® molecules for targeted protein degradation as demonstrated by the Cravatt Lab for E3 ligase discovery.

Legal Information

PROTAC is a registered trademark of Arvinas Operations, Inc., and is used under license


pictograms

Exclamation mark

signalword

Warning

hcodes

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

法规信息

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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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De-Wei Gao et al.
Journal of the American Chemical Society, 140(26), 8069-8073 (2018-06-13)
Nucleophilic attack on carbon-based electrophiles is a central reactivity paradigm in chemistry and biology. The steric and electronic properties of the electrophile dictate its reactivity with different nucleophiles of interest, allowing the opportunity to fine-tune electrophiles for use as coupling
Keriann M Backus et al.
Nature, 534(7608), 570-574 (2016-06-17)
Small molecules are powerful tools for investigating protein function and can serve as leads for new therapeutics. Most human proteins, however, lack small-molecule ligands, and entire protein classes are considered 'undruggable'. Fragment-based ligand discovery can identify small-molecule probes for proteins



全球贸易项目编号

货号GTIN
912654-100MG04061841784111