≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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.
Manitimus is an inhibitor of dehydroorotate dehydrogenase, and a potent immunosuppressive agent.
In Vivo
In the Manitimus-treated rats, there is a dose-related, differential effect: mean survival is 15.7 days in group 4 (Manitimus 5 mg/kg), 19.1 days in group 5 (Manitimus 10 mg/kg) and 25.4 days in group 6 (Manitimus 20 mg/kg) . Manitimus (15 mg/kg, p.o.) results in a significant decrease in neointimal area and percentage of stenosis versus the control rats, and diminishes the effect that CMV infection results in a significant increase in intimal and medial cross-sectional area and medial wall thickness of the vein grafts. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Animal administration
The whole experiment consists of a total of four experimental groups (n = 10 animals/group) which all undergo surgery. Furthermore, rats are either infected with CMV, treated with Manitimus\nor both. A control group only receive the Manitimus solvent (1 mL of a 1% carboxymethylcellulose solution in water). Infection is established by inoculating rats intraperitoneally with 1.25×10 6 plaque-forming units of homogenized salivary gland-derived rat CMV immediately after surgery. aladdin has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
| Canonical Smiles | C#CCCC(=C(C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F)O |
|---|---|
| IUPAC Name | (Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]hept-2-en-6-ynamide |
| InChIKey | IRELROQHIPLASX-SEYXRHQNSA-N |
| INCHI | 1S/C15H11F3N2O2/c1-2-3-4-13(21)12(9-19)14(22)20-11-7-5-10(6-8-11)15(16,17)18/h1,5-8,21H,3-4H2,(H,20,22)/b13-12- |
| Isomeric SMILES | C#CCC/C(=C(\C#N)/C(=O)NC1=CC=C(C=C1)C(F)(F)F)/O |
| Alternate CAS | 202057-76-9,185915-33-7 |
| PubChem CID | 54686843 |
| MeSH Entry Terms | 2-cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)-2-hepten-6-ynamide;2-cyano-3-hydroxy-N-(4--(trifluoromethyl)phenyl)-2-hepten-6-ynoic acid;FK 778;FK-778;FK778;HMR 1715;HMR-1715;malononitrilamide 715;malononitrilamide-715;MNA 715;MNA-715;MNA-X 920715;X 9207 |
| Molecular Weight | 308.26 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Anilides N-arylamides Vinylogous acids Secondary carboxylic acid amides Nitriles Enols Acetylides Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Anilide - N-arylamide - Vinylogous acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Enol - Acetylide - Carbonitrile - Nitrile - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
| Solubility | DMSO : 250 mg/mL (811.00 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 308.250 g/mol |
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 308.077 Da |
| Monoisotopic Mass | 308.077 Da |
| Topological Polar Surface Area | 73.100 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 540.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
