912131

2-Chloro-1-(6-methoxy-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

≥95%

• Synonym(s): 1-(Chloroacetyl)-1,2,3,4-tetrahydro-6-quinolinyl methyl ether, 2-Chloro-1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one, Electrophilic scout fragment, KB02, Scout fragment for targetable cysteine
• Empirical Formula (Hill Notation): C₁₂H₁₄ClNO₂
• CAS Number: 57368-84-0
• Molecular Weight: 239.70
• MDL number: MFCD09376367
• UNSPSC Code: 12352200
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: ≥95%
• form: chunks
• storage temp.: 2-8°C
• SMILES string: ClCC(=O)N1CCCc2c1ccc(c2)OC
• InChI: 1S/C12H14ClNO2/c1-16-10-4-5-11-9(7-10)3-2-6-14(11)12(15)8-13/h4-5,7H,2-3,6,8H2,1H3
• InChI key: XJPUWRWIBSSPSL-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 Lab for E3 ligase discovery.

Other Notes

Technology Spotlight: Proteomic Ligandability Assessment

The Proteome-Wide Potential for Reversible Covalency at Cysteine

Electrophilic PROTACs that degrade nuclear proteins by engaging DCAF16

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

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable