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ALD00532

Sigma-Aldrich

Serine Hydrolase Inhibitor-11

95%

Synonym(s):

Piperidin-1-yl(1H-pyrazol-1-yl)methanone, SHI-11

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About This Item

Empirical Formula (Hill Notation):
C9H13N3O
CAS Number:
Molecular Weight:
179.22
UNSPSC Code:
12352200
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

95%

form

liquid

SMILES string

O=C(N1CCCCC1)N2N=CC=C2

InChI

1S/C9H13N3O/c13-9(12-8-4-5-10-12)11-6-2-1-3-7-11/h4-5,8H,1-3,6-7H2

InChI key

RVUWRYIKKXZWFA-UHFFFAOYSA-N

Application

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.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(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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