ALD00550
Serine Hydrolase Inhibitor-17
Synonym(s):
tert-Butyl 4-(1H-pyrazole-1-carbonyl)-1,4-diazepane-1-carboxylate, SHI-17
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About This Item
Empirical Formula (Hill Notation):
C14H22N4O3
CAS Number:
Molecular Weight:
294.35
MDL number:
UNSPSC Code:
12352200
PubChem Substance ID:
NACRES:
NA.22
Form:
solid
form
solid
Quality Level
SMILES string
O=C(N1CCCN(C(OC(C)(C)C)=O)CC1)N2N=CC=C2
InChI
1S/C14H22N4O3/c1-14(2,3)21-13(20)17-8-5-7-16(10-11-17)12(19)18-9-4-6-15-18/h4,6,9H,5,7-8,10-11H2,1-3H3
InChI key
SREDUUSCWDQNQK-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.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral
Storage Class
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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Related Content
Boger Lab utilizes nature's solutions in complex natural products, extending them through rational design for improved biological outcomes.
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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| ALD00550-5MG | 04061833233481 |