Determine the necessary mass, volume, or concentration for preparing a solution.
A solution in ethanol for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
EDHF (endothelium-derived hyperpolarizing factor) is an unidentified mediator released from vascular endothelial cells in response to acetylcholine and bradykinin which is distinct from the NOS- (nitric oxide) and COX-derived (prostacyclin) vasodilators. Cytochrome P450 (CYP450) metabolism of polyunsaturated fatty acids produces epoxides such as 14(15)-EpETrE which are prime candidates for the actual active mediator. However, the CYP450 metabolites of eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA) have been little studied compared to arachidonate epoxygenase metabolites. 19(20)-EpDPE is a DHA epoxygenase metabolite, that is derived via epoxidation of the ω-3 double bond of DHA. EDHF activity of 19(20)-EpDPE has not been determined. The epoxygenase metabolites of DHA have also been detected in a murine inflammation model.
| Sourires canoniques | CC(C)N1C=NC=C1C=O |
|---|---|
| IUPAC Name | 3-propan-2-ylimidazole-4-carbaldehyde |
| InChIKey | VGIWEUWQSDSUIF-UHFFFAOYSA-N |
| INCHI | 1S/C7H10N2O/c1-6(2)9-5-8-3-7(9)4-10/h3-6H,1-2H3 |
| Isomères SMILES | CC(C)N1C=NC=C1C=O |
| Poids moléculaire | 344.5 |
| Reaxy-Rn | 116343 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116343&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Classe | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | Carbonylimidazoles |
| Alternative Parents | Aryl-aldehydes N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl-aldehyde - Imidazole-4-carbonyl group - N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aldehyde - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as carbonylimidazoles. These are substituted imidazoles in which the imidazole ring bears a carbonyl group. |
| External Descriptors | Not available |
| Poids moléculaire | 138.170 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 138.079 Da |
| Monoisotopic Mass | 138.079 Da |
| Topological Polar Surface Area | 34.900 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 125.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |