ALD00526
Serine Hydrolase Inhibitor-9
Synonym(s):
tert-Butyl (2-(3-(2-fluorophenyl)-1-methylureido)ethyl)(methyl)carbamate, SHI-9
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About This Item
Empirical Formula (Hill Notation):
C16H24FN3O3
CAS Number:
Molecular Weight:
325.38
MDL number:
UNSPSC Code:
12352200
PubChem Substance ID:
NACRES:
NA.22
form
powder
Quality Level
SMILES string
O=C(N(CCN(C(OC(C)(C)C)=O)C)C)NC1=C(F)C=CC=C1
InChI
1S/C16H24FN3O3/c1-16(2,3)23-15(22)20(5)11-10-19(4)14(21)18-13-9-7-6-8-12(13)17/h6-9H,10-11H2,1-5H3,(H,18,21)
InChI key
OOSVRVOVTXLHKA-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.
Signal Word
Danger
Hazard Statements
Precautionary Statements
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
Regulatory Information
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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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