기본 정보
- CAS
835876-32-9- 표준 SMILES
C[C@]12C[C@@]34C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]3[C@H](C[C@@H]1C4)O2- InChIKey
CSOMAHTTWTVBFL-OFBLZTNGSA-N- 분자식
- C24H27NO7
- 평균 분자량
- 441.5 g/mol
- 단동위원소 질량
- 441.1787522
개요
Platensimycin is a monocarboxylic acid amide obtained by the formal condensation of the amino group of 3-amino-2,4-dihydroxybenzoic acid with the carboxy group of the oxatetracyclic cage component. It is an antibiotic isolated from Streptomyces platensis and exhibits inhibitory activity against fatty acid synthase. It has a role as an antimicrobial agent, an antibacterial agent, an EC 2.3.1.85 (fatty acid synthase) inhibitor and a bacterial metabolite. It is a dihydroxybenzoic acid, a monocarboxylic acid amide, a polycyclic cage, a cyclic ether, a cyclic ketone and an aromatic amide. It is a conjugate acid of a platensimycin(1-).
이름 및 식별자
- 우선 이름
- Platensimycin
- IUPAC
- 3-[3-[(1S,5S,6R,7S,9S,10S)-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]propanoylamino]-2,4-dihydroxybenzoic acid
- 현지명
- 플라텐시마이신
- 영어명
- PlatensiMycin
- 분자식
- C24H27NO7
- 분자량
- 441.474
이름 및 동의어
PLATENSIMYCIN835876-32-9(-)-PlatensimycinQ3DQ78KOFY3-[3-[(1S,5S,6R,7S,9S,10S)-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]propanoylamino]-2,4-dihydroxybenzoic acidCHEBI:68236DTXSID80894888Benzoic acid, 3-((3-((1S,3S,4S,5aS,9S,9aR)-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-yl)-1-oxopropyl)amino)-2,4-dihydroxy-3-((3-((1S,3S,4S,5AS,9S,9AR)-1,4,5,8,9,9A-HEXAHYDRO-3,9-DIMETHYL-8-OXO-3H-1,4:3,5A-DIMETHANO-2-BENZOXEPIN-9-YL)-1-OXOPROPYL)AMINO)-2,4-DIHYDROXYBENZOIC ACID3-(3-((1S,5S,6R,7S,9S,10S)-5,9-dimethyl-4-oxo-8-oxatetracyclo(7.2.1.17,10.01,6)tridec-2-en-5-yl)propanoylamino)-2,4-dihydroxybenzoic acidRefChem:174784DTXCID201324447
이름 더 보기
플라텐시마이신laminomycinPlatensimycin, Streptomyces sp.Platensimycin, Streptomyces sp. - CAS 835876-32-9 - CalbiochemBenzoic acid, 3-[[3-[(1S,3S,4S,5aS,9S,9aR)-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-yl]-1-oxopropyl]amino]-2,4-dihydroxy-
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 133 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 888
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 녹는점
- 220 · 220-222 °C(Solv: nitromethane (75-52-5))
- 끓는 점
- 683.1 · 683.1±55.0 °C(Predicted)
- 밀도
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C
- 용해도
- 1 mg/mL, · DMSO: 용해성1mg/mL, 투명, 무색
- 물리적 상태
- 황갈색 고체
- 산도 계수 (pKa)
- 2.14 · 2.14±0.13(Predicted)
- 색상
- 흰색에서 베이지색
- InChIKey
- CSOMAHTTWTVBFL-OFBLZTNGSA-N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Compounds that interfere with FATTY ACID SYNTHASE resulting in a reduction of FATTY ACIDS. This is a target mechanism in humans of some ANTINEOPLASTIC AGENTS and ANTI-OBESITY AGENTS and of some ANTI-INFECTIVE AGENTS which interfere with CELL WALL and CELL MEMBRANE formation.
응용 분야
용도Platensimycin is a novel, broad spectrum, Gram-positive antibiotic produced by strains of Streptomyces platensis. Its discovery was heralded by high profile publication and commentary in the scientific and lay press. Platensimycin was discovered by a target-based, whole-cell screening strategy using an antisense differential sensitivity assay, based on the inhibition of fatty acid synthesis. Platensimycin inhibits bacterial growth by selectively inhibiting the elongation enzyme, b-ketoacyl acyl carrier protein synthase (FabF) of the fatty acid synthesis pathway.
공급사19 곳
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
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