Skip to Content
Merck
All Photos(2)

Key Documents

912654

Sigma-Aldrich

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

≥95%

Synonym(s):

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

Sign Into View Organizational & Contract Pricing


About This Item

Empirical Formula (Hill Notation):
C10H6ClF6NO
CAS Number:
Molecular Weight:
305.60
MDL number:
UNSPSC Code:
12352200

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

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

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

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service