Demethylbleomycin A2

Base Information

• Chemical Name: Demethylbleomycin A2
• CAS No.: 41089-03-6
• Molecular Formula: C54H81 N17 O21 S3
• Molecular Weight: 1400.53
• UNII: 5PEB269DER
• Nikkaji Number: J91.906C
• Mol file: 41089-03-6.mol

Synonyms:Demethylbleomycin A2;Demethyl bleomycin A2;41089-03-6;N1-(3-(Methylthio)propyl)bleomycinamide;5PEB269DER;Bleomycinamide, N1-(3-(methylthio)propyl)-;C54H81N17O21S3;C54-H81-N17-O21-S3;HY-148649;CS-0646614;BLEOMYCIN SULFATE IMPURITY D [EP IMPURITY]

Chemical Property of Demethylbleomycin A2

Chemical Property:

• Melting Point: >190°C (dec.)
• Density: 1.59g/cm³
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Acetonitrile (Slightly), Water (Very Slightly)
• XLogP3: -7.5
• Hydrogen Bond Donor Count: 20
• Hydrogen Bond Acceptor Count: 32
• Rotatable Bond Count: 36
• Exact Mass: 1399.49550618
• Heavy Atom Count: 95
• Complexity: 2550

Purity/Quality:

99%, ^*data from raw suppliers

DemethylbleomycinA2(TechnicalGrade) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCSC)O
• Isomeric SMILES: CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCSC)O
• Uses: Demethylbleomycin A2 is a derivative of Bleomycin (B595805),a glycopeptide antibiotic.