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912654 Sigma-Aldrich

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

≥95%

Synonym: N-Chloroacetyl-3,5-bis(trifluoromethyl)aniline, Electrophilic scout fragment, KB05, Scout fragment for targetable cysteine

  • CAS Number 790-75-0

  • Empirical Formula (Hill Notation) C10H6ClF6NO

  • Molecular Weight 305.60

  •  MDL number MFCD00077474

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Properties

Related Categories Chemical Biology, Chemical Synthesis, Probes and Sensors, Scout Fragments for Lead Discovery
Quality Level   100
assay   ≥95%
form   powder

Description

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.

Other Notes

Technology Spotlight: Proteomic Ligandability Assessment

A road map for prioritizing warheads for cysteine targeting covalent inhibitors

Direct Access to Versatile Electrophiles via Catalytic Oxidative Cyanation of Alkenes

Proteome-wide covalent ligand discovery in native biological systems

Legal Information

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

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
Precautionary statements 
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Protocols & Articles

Articles

Proteomic Ligandability Assessment

Ligandability describes the propensity of a protein target to bind a small molecule with high affinity. It is a precursor to evaluating druggability, which requires more advanced translational pharma...
Keywords: Cancer, Catalysis, Cell culture, Drug discovery, Ligands, Mass spectrometry, Proteomics, Transcription

Peer-Reviewed Papers
15

References

Related Products

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Product #

Description

Add to Cart

911798 N-(4-Bromophenyl)-N-phenylacrylamide, ≥95%
912131 2-Chloro-1-(6-methoxy-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one, ≥95%
914975 KB03-SLF, ≥95%
913715 KB05-SLF
914738 KB02-SLF, ≥95%
914223 Biotin-SLF

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