Manitimus - Moligand™, ≥99% , CAS No.202057-76-9

CAS: 202057-76-9 Cat. No.: M646602 Fórmula: C₁₅H₁₁F₃N₂O₂ Peso molecular: 308.26 PubChem CID: 54686843

GRADE & PURITY Moligand™, ≥99%

Synonyms

2-Cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)-2-hepten-6-ynoic acid | BM162377 | (Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]hept-2-en-6-ynamide | 4B135RK2KL | MNA-715 | DB06481 | UNII-4B135RK2KL | FK 778 | (2Z)-2-CYANO-3-HYDROXY-N-(4-(TRIFLUOROM

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

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

Specifications

Sinónimos

2-Cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)-2-hepten-6-ynoic acid | BM162377 | (Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]hept-2-en-6-ynamide | 4B135RK2KL | MNA-715 | DB06481 | UNII-4B135RK2KL | FK 778 | (2Z)-2-CYANO-3-HYDROXY-N-(4-(TRIFLUOROM

Especificações e pureza

Moligand™, ≥99%

Mecanismos bioquímicos e fisiológicos

Manitimus is an inhibitor of dehydroorotate dehydrogenase, and a potent immunosuppressive agent.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Pureza

≥99%

Nomes e identificadores

• Sorrisos canónicos: 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-
• SMILES isoméricas: C#CCC/C(=C(\C#N)/C(=O)NC1=CC=C(C=C1)C(F)(F)F)/O
• CAS alternativo: 202057-76-9,185915-33-7
• PubChem CID: 54686843
• Termos de entrada MeSH: 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
• Peso molecular: 308.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 250 mg/mL (811.00 mM; Need ultrasonic)
• Peso molecular: 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