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安全性情報

912131

Sigma-Aldrich

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

≥95%

別名:

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

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About This Item

実験式（ヒル表記法）:
C12H14ClNO2
CAS番号:
57368-84-0
分子量:
239.70
MDL番号:
MFCD09376367
UNSPSCコード:
12352200
NACRES:
NA.22

品質水準

100

アッセイ

≥95%

フォーム

chunks

保管温度

2-8°C

SMILES記法

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

アプリケーション

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.

その他情報

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

法的情報

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

関連製品

製品番号
詳細
価格

保管分類コード

11 - Combustible Solids

WGK

WGK 3

引火点(°F)

Not applicable

引火点(℃)

Not applicable

適用法令

試験研究用途を考慮した関連法令を主に挙げております。化学物質以外については、一部の情報のみ提供しています。 製品を安全かつ合法的に使用することは、使用者の義務です。最新情報により修正される場合があります。WEBの反映には時間を要することがあるため、適宜SDSをご参照ください。

Jan Code

912131-VAR:
912131-100MG:
912131-BULK:

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試験成績書（COA）

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文書ライブラリにアクセスする

Kristine Senkane et al.
Angewandte Chemie (International ed. in English), 58(33), 11385-11389 (2019-06-22)
Reversible covalency, achieved with, for instance, highly electron-deficient olefins, offers a compelling strategy to design chemical probes and drugs that benefit from the sustained target engagement afforded by irreversible compounds, while avoiding permanent protein modification. Reversible covalency has mainly been
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
Xiaoyu Zhang et al.
Nature chemical biology, 15(7), 737-746 (2019-06-19)
Ligand-dependent protein degradation has emerged as a compelling strategy to pharmacologically control the protein content of cells. So far, however, only a limited number of E3 ligases have been found to support this process. Here, we use a chemical proteomic

資料

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.

ライフサイエンス、有機合成、材料科学、クロマトグラフィー、分析など、あらゆる分野の研究に経験のあるメンバーがおります。.

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