375063
1-Adamantyl isocyanate
97%
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About This Item
Empirical Formula (Hill Notation):
C11H15NO
CAS Number:
Molecular Weight:
177.24
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
assay
97%
mp
144-146 °C (lit.)
functional group
isocyanate
SMILES string
O=C=NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2
InChI
1S/C11H15NO/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2/t8-,9+,10-,11-
InChI key
VBHCPGFCIQDXGZ-BIBSGERRSA-N
General description
1-Adamantyl isocyanate is an isocyanate derivative.
Application
1-Adamantyl isocyanate may be used in the preparation of:
- adamantyl-functionalized nanoparticles, via thiol-isocyanate reaction of thiol-modified nanoparticles1 4-[3-(aryl or -cycloalkyl)ureido]butyryl compound
- 4-(3-adamantan-1-yl-ureido)butyric acid, via reaction with 4-aminobutanoic acid in DMF
- 4-(3-adamantan-1-yl-ureido)butyryloxy compound
- 12-(3-adamantan-1-yl-ureido) dodecanoic acid (AUDA)
- adamantyl-phenylsulfonamide ureas
- 1-adamantan-1-yl-3-(hydroxyalkyl)ureas, via reaction with with hydroxyalkylamines
signalword
Danger
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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In-Hae Kim et al.
Bioorganic & medicinal chemistry, 15(1), 312-323 (2006-10-19)
The soluble epoxide hydrolase (sEH) plays an important role in the metabolism of endogenous chemical mediators involved in blood pressure regulation and vascular inflammation. 12-(3-Adamantan-1-yl-ureido)-dodecanoic acid (AUDA, 1) is a very active inhibitor of sEH both in vitro and in
Kathrin Isenbügel et al.
Macromolecular rapid communications, 31(24), 2121-2126 (2011-05-14)
Stable nanoparticle vesicles were for the first time prepared from adamantyl- and cyclodextrin (CD)-modified silica nanoparticles forming host-guest interactions in aqueous solution. Adamantyl-functionalized nanoparticles were obtained from thiol-isocyanate reaction of thiol-modified nanoparticles with 1-adamantyl isocyanate. The CD modified silica particles
In-Hae Kim et al.
Journal of medicinal chemistry, 50(21), 5217-5226 (2007-09-27)
Soluble epoxide hydrolase (sEH) is a therapeutic target for treating hypertension and inflammation. 1,3-Disubstituted ureas functionalized with an ether group are potent sEH inhibitors. However, their relatively low metabolic stability leads to poor pharmacokinetic properties. To improve their bioavailability, we
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 375063-5G | 04061832099736 |