912654

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
• Empirical Formula (Hill Notation): C₁₀H₆ClF₆NO
• CAS Number: 790-75-0
• Molecular Weight: 305.60
• MDL number: MFCD00077474
• UNSPSC Code: 12352200

Properties

• 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

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 Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319
• Precautionary Statements: P264 - P280 - P302 + P352 - P305 + P351 + P338 - P332 + P313 - P337 + P313
• 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