CID 5472285

Base Information

• Chemical Name: CID 5472285
• CAS No.: 579-13-5
• Molecular Formula: C45H74 O11
• Molecular Weight: 791.07
• Hs Code.: 29419090
• NSC Number: 717694
• ChEMBL ID: CHEMBL2007230
• Mol file: 579-13-5.mol

Synonyms:EINECS 209-437-3;BRN 5702132;C45-H74-O11;RP-32705;CHEMBL2007230;NSC717694;O 5001

Chemical Property of CID 5472285

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 150-151℃
• Boiling Point: 886.3°Cat760mmHg
• PKA: 12.52±0.70(Predicted)
• Flash Point: 252°C
• PSA: 180.05000
• Density: 1.14g/cm³
• LogP: 5.88260
• Storage Temp.: −20°C
• Solubility.: Soluble in DMSO, ethanol or acetone
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 3
• Exact Mass: 790.52311317
• Heavy Atom Count: 56
• Complexity: 1390

Purity/Quality:

99%, ^*data from raw suppliers

Oligomycin A ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,T
• Hazard Codes: Xn,T
• Statements: 22-68/20/21/22-20/21/22
• Safety Statements: 36/37-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CCC2C(C(C(C3(O2)CCC(C(O3)CC(C)O)C)C)OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC=C1)C)O)(C)O)C)O)C)C)O)C)C
• Isomeric SMILES: CC[C@H]\1CC[C@@H]2[C@@H]([C@@H]([C@H]([C@@]3(O2)CC[C@H]([C@H](O3)CC(C)O)C)C)OC(=O)/C=C/[C@H]([C@@H]([C@H](C(=O)[C@H]([C@@H]([C@H](C(=O)[C@@]([C@@H]([C@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C
• Description: Oligomycins are macrolides created by Streptomyces species that can be toxic to other organisms. Different oligomycin isomers are highly specific for the disruption of mitochondrial metabolism. Oligomycin A, a dominant analog of the isomers, is an inhibitor of mitochondrial F1FO ATP synthase that induces apoptosis in a variety of cell types (average GI50 = 270 nM). Oligomycin A exhibits antifungal, antitumor, and nematocidal activities, but has poor solubility in water and other biocompatible solvents, which limits its clinical application.
• Uses: Oligomycin A is a macrolide with fungicidal activity isolated from Streptomyces species. Oligomycin A is the dominant analogue of a class macrocyclic lactones isolated from selected strains of Streptomyces sp.. Oligomycin A is an inhibitor of mitochondrial F1F0-ATPase. It induces apoptosis in a variety of cell types, makes cells more susceptible to cell death, and also leads to a switch in the death mode from apoptosis to necrosis. Oligomycin A exhibits a broad biological profile including antifungal, antitumour and nematocidal activities. Oligomycin A is the dominant analogue of a class of macrocyclic lactones isolated from selected strains of Streptomyces sp.. Oligomycin A is an inhibitor of mitochondrial F1F0-ATPase. It induces apoptosis in a variety of cell types, makes cells more susceptible to cell death, and also leads to a switch in the death mode from apoptosis to necrosis. Oligomycin A exhibits a broad biological profile including antifungal, antitumor and nematocidal activities.