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912654

Sigma-Aldrich

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

≥95%

Synonyme(s) :

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

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About This Item

Formule empirique (notation de Hill):
C10H6ClF6NO
Numéro CAS:
790-75-0
Poids moléculaire :
305.60
Numéro MDL:
MFCD00077474
Code UNSPSC :
12352200

Pureté

≥95%

Forme

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)

Clé InChI

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.

Autres remarques

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

Informations légales

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

Produit(s) apparenté(s)

Réf. du produit
Description
Tarif

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

923818

N-(But-3-yn-1-yl)-2-(((2-oxo-2H-chromen-7-yl)oxy)methyl)acrylamide

925047

KB02-COOH

925225

KB02yne

925136

4,6-Dimethyl-2-(methylsulfinyl)-3-nitropyridine

Pictogrammes

Exclamation mark
GHS07

Mention d'avertissement

Warning

Mentions de danger

H315,H319

Classification des risques

Eye Irrit. 2 - Skin Irrit. 2

Code de la classe de stockage

11 - Combustible Solids

Classe de danger pour l'eau (WGK)

WGK 3

Point d'éclair (°F)

Not applicable

Point d'éclair (°C)

Not applicable

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Certificats d'analyse (COA)

Lot/Batch Number
MKCL9978

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Consulter la Bibliothèque de documents

Péter Ábrányi-Balogh et al.
European journal of medicinal chemistry, 160, 94-107 (2018-10-16)
Targeted covalent inhibitors have become an integral part of a number of therapeutic protocols and are the subject of intense research. The mechanism of action of these compounds involves the formation of a covalent bond with protein nucleophiles, mostly cysteines.
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

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 pharmacological effects and drug-like properties in vivo.

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