(Bleomycin A5)
Basic information
- CAS
11116-32-8- Standard SMILES
Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCNCCCCN)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1- InChIKey
QYOAUOAXCQAEMW-UHFFFAOYSA-N- Molecular formula
- C57H89N19O21S2
- Average molar mass
- 1,440.6 g/mol
- Monoisotopic mass
- 1,439.59218327
Overview
pingyangmycin has been reported in Streptomyces verticillus with data available.
Names & identifiers
- Preferred name
- (Bleomycin A5)
- IUPAC
- [2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[5-[[1-[2-[4-[4-[3-(4-aminobutylamino)propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
- English name
- Bleomycin A5
- Molecular formula
- C57H89N19O21S2
- Molecular weight
- 1440.56
Names & synonyms
(Bleomycin A5)CHEMBL2002141SCHEMBL29349809FB152633Q2095702bleomycetinBleomycinamide, N1-[3-[(4-aminobutyl)amino]propyl]-Nsc350895Bleomycin A5Pingyangmycin A5Zhengguanmycin A5Bleomycin A5 USP/EP/BP
Show more names
N1-(3-((4-Aminobutyl)amino)propyl)bleomycinamide
Database identifiers
- CAS
11116-32-8- PubChem CID
- 84046
- ChEMBL
CHEMBL2002141
Properties
Computed structural properties
- XLogP
- -8.8
- Topological polar surface area
- 722 Ų
- Hydrogen bond donors
- 22
- Hydrogen bond acceptors
- 33
- Rotatable bonds
- 40
- Heavy atoms
- 99
- Formal charge
- 0
- Complexity
- 2,620
Physicochemical properties
- Density
- 1.1028 · 1.1028 (rough estimate)
- refractive index
- 1.67 · 1.6700 (estimate)
- pka
- 10.84 · 10.84±0.46(Predicted)
- form
- Solid
- color
- White to off-white
- FDA UNII
- 5 DY91Y7601 · 5DY91Y7601
- Toxicity
- 192 mg/kg · TDLo unreported in human: 192mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- TDLo unreported in human: 192mg/kg
Chemistry & industry
Applications
UsesBleomycin A5 (Pingyangmycin) is an orally active glycopeptide antibiotics. Bleomycin A5 has a role as an antineoplastic agent, an apoptosis inducer and a bacterial metabolite[1][2].
Additional notes
DefinitionChEBI: A member of the class of bleomycins that is used in sclerotherapy for cervicofacial lymphatic malformations.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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