Polymyxin B1 Sulfate
Grundinformationen
- CAS
108965-61-3- Standard-SMILES
CC[C@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O.O=S(=O)(O)O- InChIKey
HFMDLUQUEXNBOP-GYMBPXIDSA-N- Summenformel
- C56H100N16O17S
- Durchschnittliche Molmasse
- 1.301,6 g/mol
- Monoisotopische Masse
- 1.300,71730696
Überblick
Polymyxin B1 Sulfate is the sulfate salt form of polymyxin B1, a polypeptide obtained from Bacillus polymyxa strains with antimicrobial activity. Polymyxin B1 exerts its antimicrobial effect through its cationic detergent action on cell membranes. Specifically, this antibiotic binds to the negatively charged site in the lipopolysaccharide layer of the bacterial cell membrane via electrostatic affinity with the positively charged amino groups in the cyclic peptide portion. Subsequently, the fatty acid portion of polymyxin B1 dissolves in the hydrophobic region of the bacterial cell membrane. This results in an alteration in cell membrane structure, disruption of cell wall integrity and an increase in permeability for water and molecules. This will eventually lead to bacterial cell death.
Namen und Bezeichner
- Bevorzugter Name
- Polymyxin B1 Sulfate
- IUPAC
- (6S)-N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide;sulfuric acid
- Englischer Name
- PolyMyxin B1 Sulfate
- Summenformel
- C56H100N16O17S
- Molmasse
- 1301.57
Namen und Synonyme
UNII-57VAB21ZLF57VAB21ZLF108965-61-3DTXSID10148785RefChem:175172DTXCID3071276CHEMBL4760775Q27261527(6S)-N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide;sulfuric acidN2-(6-Methyl-1-oxooctyl)-L-2,4-diaminobutanoyl-L-threonyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-D-phenylalanyl-L-leucyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-threonine Cyclic (10-->4)-Peptide SulfatePolyMyxin B1 Sulfate
Datenbank-Bezeichner
- CAS
108965-61-3- PubChem CID
- 71587410
- DTXSID
DTXSID10148785- ChEMBL
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 574 Ų
- H-Brücken-Donoren
- 20
- H-Brücken-Akzeptoren
- 22
- Frei drehbare Bindungen
- 29
- Schwere Atome
- 90
- Formalladung
- 0
- Komplexität
- 2.240
Chemie und Industrie
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