기본 정보
- CAS
108965-61-3- 표준 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- 분자식
- C56H100N16O17S
- 평균 분자량
- 1,301.6 g/mol
- 단동위원소 질량
- 1,300.71730696
개요
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.
이름 및 식별자
- 우선 이름
- 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
- 영어명
- PolyMyxin B1 Sulfate
- 분자식
- C56H100N16O17S
- 분자량
- 1301.57
이름 및 동의어
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
데이터베이스 식별자
- CAS
108965-61-3- PubChem CID
- 71587410
- DTXSID
DTXSID10148785- ChEMBL
CHEMBL4760775
물성
구조 계산 물성
- 극성 표면적
- 574 Ų
- 수소 결합 공여자 수
- 20
- 수소 결합 수용자 수
- 22
- 회전 가능 결합 수
- 29
- 무거운 원자 수
- 90
- 형식 전하
- 0
- 복잡도
- 2,240
화학 및 산업
공급사7 곳
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