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ALD00552

Sigma-Aldrich

Serine Hydrolase Inhibitor-16

Synonym(s):

tert-Butyl 4-(4-methyl-1H-pyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate, SHI-16

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About This Item

Empirical Formula (Hill Notation):
C15H24N4O3
CAS Number:
1622426-21-4
Molecular Weight:
308.38
UNSPSC Code:
12352200
PubChem Substance ID:
329772715
NACRES:
NA.22

form

solid

Quality Level

100

SMILES string

O=C(N1CCCN(C(OC(C)(C)C)=O)CC1)N2N=CC(C)=C2

InChI

1S/C15H24N4O3/c1-12-10-16-19(11-12)13(20)17-6-5-7-18(9-8-17)14(21)22-15(2,3)4/h10-11H,5-9H2,1-4H3

InChI key

CXPKONGEDQYMCW-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.

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H301

Precautionary Statements

P301 + P330 + P331 + P310

Hazard Classifications

Acute Tox. 3 Oral

Storage Class Code

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

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

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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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