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ALD00520

Sigma-Aldrich

Serine Hydrolase Inhibitor-6

Synonym(s):

tert-Butyl methyl(2-(1-methyl-3-(4-(trifluoromethyl)phenyl)ureido)ethyl)carbamate, SHI-6

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About This Item

Empirical Formula (Hill Notation):
C17H24F3N3O3
CAS Number:
1622426-11-2
Molecular Weight:
375.39
UNSPSC Code:
12352200
PubChem Substance ID:
329772703
NACRES:
NA.22

form

powder

SMILES string

O=C(N(CCN(C(OC(C)(C)C)=O)C)C)NC1=CC=C(C(F)(F)F)C=C1

InChI

1S/C17H24F3N3O3/c1-16(2,3)26-15(25)23(5)11-10-22(4)14(24)21-13-8-6-12(7-9-13)17(18,19)20/h6-9H,10-11H2,1-5H3,(H,21,24)

InChI key

XDOBWZXGKJLKIY-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 crossbonesEnvironment
GHS06,GHS09

signalword

Danger

hcodes

H301,H410

Hazard Classifications

Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1

Storage Class

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

wgk_germany

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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