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폴리믹신 B 황산염

Polymyxin B1-d3

HCID 4868
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
1405-20-5
표준 SMILES
CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(CCN)NC1=O)C(C)O
InChIKey
WQVJHHACXVLGBL-UHFFFAOYSA-N
분자식
C56H98N16O13
평균 분자량
1,203.5 g/mol
단동위원소 질량
1,202.74992724

개요

polymyxin B has been reported in Paenibacillus polymyxa with data available.

이름 및 식별자

우선 이름
Polymyxin B1-d3
IUPAC
N-[4-amino-1-[[1-[[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(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
현지명
폴리믹신 B 황산염
영어명
Polymyxin B sulfate
분자식
C56H100N16O17S
분자량
1301.56

이름 및 동의어

AerosporinPolymyxin B1-d3Spectrum_001117Spectrum2_000490Spectrum3_000549Spectrum4_000481Spectrum5_001331BSPBio_002197KBioGR_000961KBioSS_001597DivK1c_000732SPBio_000359
이름 더 보기
폴리믹신B황산염폴리믹신B황산염(POLYMYXINBSULFATE)POLYMYXIN BPOLYMYXIN B SULPHATEPOLYMIXIN B SULFATEPOLYMIXIN B SULPHATEpolymyxin B sulfate uspPolymyxin B sulfate for microbiological assayN-[3-AMino-1-[[1-[[3-aMino-1-[[6,9,18-tris(2-aMinoethyl)-15-benzyl-3-(1-hydroxyethyl)-12-(2-Methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]carbaMoyl]propyl]carbaMoyl]-2-hydroxy-propyl]carbaMoyl]proPoly-RXAPPLISORB
CHEMBL241797SCHEMBL7799155GTPL10338KBio1_000732KBio2_001597KBio2_004165KBio2_006733KBio3_001697

물성

구조 계산 물성

XLogP
-2.5
극성 표면적
491 Ų
수소 결합 공여자 수
18
수소 결합 수용자 수
18
회전 가능 결합 수
29
무거운 원자 수
85
형식 전하
0
복잡도
2,150

실험 및 물리화학적 성질

LogP-4.861
Solubility7.44e-02 g/L
Physical DescriptionSolid

물리화학적 성질

녹는점
217 · 217-220°C (dec.)
저장 조건
2 · 2-8°C
용해도
2 O: · H2O: 50 mg/mL
산도 계수 (pKa)
8.9 · pKa 8.9 (Uncertain)
물리적 상태
가루
색상
무색 또는 약간 노란색
수소이온지수(pH)
pH (10g/L, 25℃) : 4.5~7.0
생물학적 소스
Pseudomonas aeruginosa
수용성
50 mg/ml/n에서 · 50mg/ml/n에서 물에 용해됨
Merck
14 · 14,7573
안정성
흡습성
InChIKey
HFMDLUQUEXNBOP-UHFFFAOYSA-N
LogP
-6.361 · -6.361 (est)
EPA
Polymixin B sulfate (1405-20-5)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

독성 정보

Exposure RoutesEye contact; parenteral (intrathecal, intramuscular injection, intravenous drip). Not absorbed from the normal alimentary tract.
Toxicity Summary · 1건

Polymyxin B sulfate has a bactericidal action against almost all gram-negative bacilli except the Proteus group. Polymyxin B sulfate interacts with the lipopolysaccharide of the cytoplasmic outer membrane of Gram-negative bacteria, altering membrane permeability and causing cell death. It does not need to enter the cell.

Signs and Symptoms · 1건

Facial flushing, dizziness progressing to ataxia, drowsiness, peripheral paresthesias (circumoral and stocking glove), apnea due to concurrent use of curariform muscle relaxants, other neurotoxic drugs or inadvertent overdosage, and signs of meningeal irritation with intrathecal administration, e.g., fever, headache, stiff neck and increased cell count and protein cerebrospinal fluid. Other reactions occasionally reported: Drug fever, urticarial rash, pain (severe) at intramuscular injection sites, and thrombophlebitis at intravenous injection sites. (L1876)

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

안전 데이터

wgk
3
rtecs
TR1150000
ridadr
3249
독성
dog,LDLo,intracrebral,320ug/kg (0.32mg/kg),BEHAVIORAL: COMA,British Journal of Pharmacology and Chemotherapy. Vol. 23, Pg. 552, 1964.
HS 번호
2941 90 00
risk_code
22
hazard_code
Xn
safety_code
22-24/25
포장분류
III
위험 등급
6.1(b)

화학 및 산업

약리 정보

Metabolism/MetabolitesRoute of Elimination: The drug is excreted slowly by the kidneys.

용도 및 제조

Uses · 1건

Used in the treatment of infections of the urinary tract, meninges, and bloodstream caused by susceptible strains of <i>Pseudomonas aeruginosa</i>. It may also be used topically and subconjunctivally in the treatment of infections of the eye caused by susceptible strains of Ps. aeruginosa. (L1876)

응용 분야 · 3건

개요The polymyxins are cationic peptides originally isolated from B. polymyxa. They bind and kill Gram-negative bacteria. The B series of polymyxins consist of a cyclic heptapeptide and a tripeptide side chain acylated at the amino terminus by a fatty acid. Polymyxin B (sulfate) is a mixture of at least four closely related components, polymyxin B1 to B4, with polymyxin B1 and B2 being the two major components. Polymyxin B (sulfate) has rapid in vitro bactericidal activity against major multidrug-resistant Gram-negative bacteria, such as P. aeruginosa, A. baumannii, and K. pneumoniae.

용도Polymyxin B sulfate is used as topical antibiotic agent, often used in combination with neomycin; products include ointments, creams, eye, and ear drops.

일반 설명Polymyxin (Aerosporin) was discovered in 1947 almost simultaneouslyin three separate laboratories in the UnitedStates and Great Britain. As often happens whensimilar discoveries are made in widely separated laboratories,differences in nomenclature, referring to both theantibiotic-producing organism and the antibiotic itself, appearedin references to the polymyxins. Because the organismsfirst designated as Bacillus polymyxa and B.aerosporus Greer were found to be identical species, thename B. polymyxa is used to refer to all of the strains thatproduce the closely related polypeptides called polymyxins.Other organisms (e.g., see “Colistin” later) also producepolymyxins. Identified so far are polymyxins A, B1,B2, C, D1, D2, M, colistin A (polymyxin E1), colistin B(polymyxin E2), circulins A and B, and polypeptin. Theknown structures of this group and their properties havebeen reviewed by Vogler and Studer. Of these,polymyxin B as the sulfate usually is used in medicine because,when used systemically, it causes less kidney damagethan the others. Polymyxin B sulfate is a nearly odorless, white to buff powder. It is freely soluble in water and slightly soluble in alcohol.

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트

데이터베이스 식별자

CAS
1405-20-5
PubChem CID
4868
ChEMBL
CHEMBL241797

화학적 성질

White Solid

기존화학 물질
KE-05-1072
F 고인화성물질
3-8-10
Hazard Classifications
Acute Tox. 4 Oral
스토리지 클래스
11 - Combustible Solids

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