기본 정보
- CAS
1405-87-4- 표준 SMILES
CCC(C)C(N)C1=NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC2CCCCNC(=O)C(CC(N)=O)NC(=O)C(CC(=O)O)NC(=O)C(Cc3cnc[nH]3)NC(=O)C(Cc3ccccc3)NC(=O)C(C(C)CC)NC(=O)C(CCCN)NC2=O)C(C)CC)CS1- InChIKey
CLKOFPXJLQSYAH-UHFFFAOYSA-N- 분자식
- C66H103N17O16S
- 평균 분자량
- 1,422.7 g/mol
- 단동위원소 질량
- 1,421.74894144
개요
bacitracin a has been reported in Bacillus licheniformis with data available.
이름 및 식별자
- 우선 이름
- Baciguent
- IUPAC
- 4-[[2-[[2-(1-amino-2-methylbutyl)-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoyl]amino]-5-[[1-[[3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-butan-2-yl-6-(carboxymethyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclopentacos-21-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
- 현지명
- 바시트라신
- 영어명
- Bacitracin
- 분자식
- C66H102N17O16S
- 분자량
- 1421.68538
이름 및 동의어
BaciguentRefChem:9166454-((2-((2-(1-amino-2-methylbutyl)-4,5-dihydro-1,3-thiazole-4-carbonyl)amino)-4-methylpentanoyl)amino)-5-((1-((3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-butan-2-yl-6-(carboxymethyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclopentacos-21-yl)amino)-3-methyl-1-oxopentan-2-yl)amino)-5-oxopentanoic acidBacitracin A22601-59-8NSC-45737BACITRACIN_majorC66H103N17O16SSCHEMBL12652843Pharmakon1600-01500134XAA60159NSC755905
이름 더 보기
바시트라신바시트라신(BACITRACIN)septaZiba-RXBacitracin iMpurityayfivinAgfivinbaci-jelusafcb-7BACIDRIN
s4146AB30570Bacitracin F,5-dihydro-4-thiazolyl]carbonyl]-L-leucine]-4-[[2-[[2-(1-amino-2-methyl-butyl)-4,5-dihydrothiazole-4-carbonyl]amino]-4-methyl-pentanoyl]amino]-5-[[1-[[3-(2-amino-2-oxo-ethyl)-18-(3-aminopropyl)-12-benzyl-6-(carboxymethyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-15-sec-butyl-1,4,7,10,13,16,19-heptazacyclopentacos-21-yl]carbamoyl]-2-methyl-butyl]amino]-5-oxo-pentanoic acid
물성
구조 계산 물성
- XLogP
- -4.1
- 극성 표면적
- 556 Ų
- 수소 결합 공여자 수
- 17
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 31
- 무거운 원자 수
- 100
- 형식 전하
- 0
- 복잡도
- 2,850
실험 및 물리화학적 성질
Human DrugsBreast Feeding; Lactation; Milk, Human; Anti-Infective Agents, Local; Antibacterial Agents
물리화학적 성질
- 녹는점
- 221 · 221-225°C
- 밀도
- 1.0166 · 1.0166 (rough estimate)
- 굴절률
- 1.67 · 1.6700 (estimate)
- 저장 조건
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- 용해도
- 2 O: · H2O: 50 mg/mL, 투명하거나 매우 약간 흐릿함, 진한 노란색
- 물리적 상태
- 가루
- 색상
- 흰색에서 희미한 베이지색
- 냄새
- 무취 또는 아세트산 냄새
- 수용성
- 녹는
- Merck
- 13 · 13,936
- InChIKey
- QSNOBVJFKSQBBD-UHFFFAOYSA-N
- LogP
- -0.05 · -0.050 (est)
- EPA
- Bacitracin (1405-87-4)
화학적 성질
Bacitracin is a white to light tan powder which is odorless or having a slight odor and very bitter taste.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS ClassificationNot Classified
유해성 정보
Hazard Classes and CategoriesNot Classified
독성 정보
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- CP0175000
- 독성
- LD50 oral in guinea pig: 2gm/kg
- HS 번호
- 29419090
- risk_code
- 20/21/22
- hazard_code
- Xn
- safety_code
- 22-24/25-45-36
- 기존화학 물질
- KE-02003
- F 고인화성물질
- 21
- 스토리지 클래스
- 11 - Combustible Solids
- 유해 물질 데이터
- 1405-87-4(Hazardous Substances Data)
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects.
Substances that inhibit the growth or reproduction of BACTERIA.
응용 분야
개요Bacitracin is a mixture of similar peptides produced by fermentation of the bacterium Bacillus subtil is. The A-type component predominates. Its mode of action is to inhibit both peptidoglycan biosynthesis at a late stage (probably at the dephosphorylation of the phospholipid carrier step) and disruptions of plasma membrane function.
용도Bacitracin is a peptide antibiotic effective against gram-postive bacteria. Bacitracin is an inhibitor of peptidoglycan synthesis. Bacitracin disrupts bacterial cell wall synthesis by inhibiting depho sphorylation of lipid pyrophosphate. Bacitracin also strongly inhibits proline endopeptidase from human muscle.
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