[(2R,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate

Base Information

• Chemical Name: [(2R,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate
• CAS No.: 1397-94-0
• Molecular Formula: C28H40N2O9
• Molecular Weight: 512.34
• Hs Code.: 2941900000
• UN Number: 2811,2588
• ChEMBL ID: CHEMBL3780878
• Metabolomics Workbench ID: 53879
• Wikidata: Q27166246
• Wikipedia: Antimycin A,Antimycin_A
• Mol file: 1397-94-0.mol

Synonyms:Antimycin A;Antimycin A1;Butanoic acid, 2(or 3)-methyl-, 3-((3-(formylamino)-2-hydroxybenzoyl)amino)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester

Chemical Property of [(2R,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate

Chemical Property:

• Vapor Pressure: 8.94E-24mmHg at 25°C
• Melting Point: 141-142℃
• Refractive Index: 1.5800 (estimate)
• Boiling Point: 757.9°Cat760mmHg
• Flash Point: 412.1°C
• PSA: 157.33000
• Density: 1.22g/cm³
• LogP: 4.58020
• Storage Temp.: 2-8°C
• Sensitive.: Light Sensitive
• Water Solubility.: Soluble in 100% ethanol. Insoluble in water.
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 12
• Exact Mass: 548.27338086
• Heavy Atom Count: 39
• Complexity: 849
• Transport DOT Label: Poison

Purity/Quality:

Antimycin A ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,N
• Statements: 25-50
• Safety Statements: 26-36/37/39-45-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C
• Isomeric SMILES: CCCCCCC1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C
• Uses: antifungal, antiviral, interferes in cytochrome oxidation Antimycin A is a complex of related macrocyclic lactones, predominantly A1 to A4, isolated from several species of Streptomyces, first reported in the early 1950s for potent antifungal activity. There are over 20 known analogues in the antimycin A class, mostly involving variation of the fatty acid ester chain length or adjacent alkyl starting unit. Antimycin A binds to cytochrome C reductase at the Qi site, inhibiting the oxidation of ubiquinol to ubiquinone. Antimycin A is widely used as a bioprobe of respiration and other applications with over 5,000 literature citations. Antimycin A is used to study the specific sites of reactive oxygen species production in mitochondria isolated from skeletal muscle of chronic obstructive pulmonary disease patients, and its relationship with local oxidative stress induced by exercise.