BAFILOMYCIN B1

Base Information

• Chemical Name: BAFILOMYCIN B1
• CAS No.: 88899-56-3
• Molecular Formula: C₄₄H₆₅NO₁₃
• Molecular Weight: 815.999
• Hs Code.: 2941900000
• European Community (EC) Number: 635-481-1
• Wikidata: Q105140567
• Mol file: 88899-56-3.mol

Synonyms:Hygrolidin,37-decarboxy-2-demethyl-37-[[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]carbonyl]-2-methoxy-24-methyl-;Oxacyclohexadecane, hygrolidin deriv.; 2-Butenoic acid,4-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-4-oxo-,tetrahydro-2-hydroxy-2-[2-hydroxy-3-(10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxooxacyclohexadeca-4,6,12,14-tetraen-2-yl)-1-methylbutyl]-5-methyl-6-(1-methylethyl)-2H-pyran-4-ylester,[2R-[2R*[1S*[2R*,4R*(E),5S*,6R*],2R*,3S*],3S*,4E,6E,9S*,10S*,11R*,12E,14Z]]-;Bafilomycin B1; Setamycin

Chemical Property of BAFILOMYCIN B1

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 939.4 ºC
• Flash Point: 521.9ºC
• PSA: 207.38000
• Density: 1.22 g/cm³
• LogP: 5.43940
• Storage Temp.: −20°C
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 12
• Exact Mass: 815.44559113
• Heavy Atom Count: 58
• Complexity: 1670

Purity/Quality:

98%Min ^*data from raw suppliers

Bafilomycin B1 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 26/27/28
• Safety Statements: 36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1CC(=CC=CC(C(OC(=O)C(=CC(=CC(C1O)C)C)OC)C(C)C(C(C)C2(CC(C(C(O2)C(C)C)C)OC(=O)C=CC(=O)NC3=C(CCC3=O)O)O)O)OC)C
• Isomeric SMILES: C[C@H]1C/C(=C\C=C/[C@@H](C(OC(=O)/C(=C\C(=C/[C@H]([C@H]1O)C)\C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)OC(=O)/C=C/C(=O)NC3=C(CCC3=O)O)O)O)OC)/C
• Description: Bafilomycin B1 is a fungal metabolite that has been found in Streptomyces and has diverse biological activities. It inhibits the activity of rat liver lysosomal vacuolar H+-ATPase (V-ATPase) in a concentration-dependent manner. Bafilomycin B1 (10-1,000 nM) induces autophagosome accumulation in MCF-7 cells. It inhibits chloroquine-induced apoptosis in primary cerebellar granule neurons (CGNs) when used at a concentration of 1 nM. Bafilomycin B1 reduces viral genome copy numbers in the culture supernatant of Vero E6 cells infected with H1N1 influenza A.
• Uses: Bafilomycin B1 is a member of a potent family of macrocyclic lactones. Bafilomycin B1 shares the same mode of action and activity as its more accessible A1 analogue. Bafilomycin B1 is broadly active against bacteria, fungi, insects, nematodes and protozoans. Bafilomycin B1 has attracted interest as a potential agent for treating osteoporosis.