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Merck

ALD00516

Sigma-Aldrich

丝氨酸水解酶抑制剂4

别名:

tert-Butyl 4-((4-(trifluoromethyl)phenyl)carbamoyl)piperazine-1-carboxylate, SHI-4

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About This Item

经验公式(希尔记法):
C17H22F3N3O3
分子量:
373.37
MDL號碼:
分類程式碼代碼:
12352202
PubChem物質ID:
NACRES:
NA.22

形狀

powder

SMILES 字串

O=C(N1CCN(C(OC(C)(C)C)=O)CC1)NC2=CC=C(C(F)(F)F)C=C2

InChI

1S/C17H22F3N3O3/c1-16(2,3)26-15(25)23-10-8-22(9-11-23)14(24)21-13-6-4-12(5-7-13)17(18,19)20/h4-7H,8-11H2,1-3H3,(H,21,24)

InChI 密鑰

FSOGYZYWLXHRLD-UHFFFAOYSA-N

應用

Serine hydrolase inhibitors are small molecule fragments that react in vitro with the serine hydrolase class of proteins. They are amenable to further modification to create novel inhibitors of this class of protein.

象形圖

Skull and crossbones

訊號詞

Danger

危險聲明

危險分類

Acute Tox. 3 Oral

儲存類別代碼

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

水污染物質分類(WGK)

WGK 3

閃點(°F)

Not applicable

閃點(°C)

Not applicable


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Katerina Otrubova et al.
Bioorganic & medicinal chemistry letters, 24(16), 3807-3813 (2014-07-20)
Two libraries of modestly reactive ureas containing either electron-deficient acyl anilines or acyl pyrazoles were prepared and are reported as screening libraries for candidate serine hydrolase inhibitors. Within each library is a small but powerful subset of compounds that serve

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As the exploration of the properties of complex natural products becomes increasingly more sophisticated with the technological advances being made in their screening and evaluation and as structural details of their interaction with biological targets becomes more accessible, the importance and opportunities for providing unique solutions to complex biological problems has grown. The Boger Lab addresses these challenging problems by understanding the complex solutions and subtle design elements that nature has provided in the form of a natural product and work to extend the solution through rational design elements to provide more selective, more efficacious, or more potent agents designed specifically for the problem or target under investigation. The resulting efforts have reduced many difficult or intractable synthetic challenges to manageable problems providing an approach not only to the natural product but one capable of simple extrapolation to a series of structural analogs with improved selectivity and efficacy.

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