기본 정보
- CAS
87081-35-4- 표준 SMILES
CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O)/C=C/[C@@H]1OC(=O)C=C[C@@H]1C- InChIKey
YACHGFWEQXFSBS-XYERBDPFSA-N- 분자식
- C33H48O6
- 평균 분자량
- 540.7 g/mol
- 단동위원소 질량
- 540.34508925
개요
Leptomycin B is a leptomycin having a (2E,10E,12E,16Z,18E)-double bond configuration as well as an ethyl substituent at position 17. It has a role as an antifungal agent and a bacterial metabolite. It is a hydroxy polyunsaturated fatty acid and a leptomycin. It is functionally related to a tetracosanoic acid.
이름 및 식별자
- 우선 이름
- Leptomycin B
- IUPAC
- (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2S,3S)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]-8-oxononadeca-2,10,12,16,18-pentaenoic acid
- 영어명
- Leptomycin B
- 분자식
- C33H48O6
- 분자량
- 540.73
이름 및 동의어
Leptomycin BElactocin87081-35-4Antibiotic CL 1957ACI-940Y031I2N1EOCHEBI:52646CL-1957ANSC-364372PD-114720(2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-((2S,3S)-3-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-8-oxononadeca-2,10,12,16,18-pentaenoic acid(2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2S,3S)-3-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-8-oxononadeca-2,10,12,16,18-pentaenoic acid
이름 더 보기
Lepomycin BLeprimycin Bantibioticci940antibioticcl1957aLeptomycin B solutioLeptomycin B (CI 940Leptomycin B (0.2mg/ml)LeptoMycin B 1% solutonInSolution? Leptomycin B,
2,10,12,16,18-Nonadecapentaenoic acid, 19-(3,6-dihydro-3-methyl-6-oxo-2H-pyran-2-yl)-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-8-oxo-DTXSID9036698RefChem:152842PD-114,720DTXCID7016698MantuamycinAntibiotic CI 940PD 114720
물성
구조 계산 물성
- XLogP
- 7.9
- 극성 표면적
- 101 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 1,020
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Antibiotics
물리화학적 성질
- 녹는점
- 41 · 41-44°, with prior softening (Hokanson)
- 끓는 점
- 725.8 · 725.8±60.0 °C(Predicted)
- 밀도
- 1.072 g/mL · 1.072 g/mL
- 인화점
- 13 °C · 13 °C
- 저장 조건
- 20 °C · −20°C
- 용해도
- 에탄올(1 mg/ml) 용액으로 제공됩니다. 에탄올이나 DMSO를 사용하여 추가로 희석할 수 있습니다.
- 물리적 상태
- liquid
- 산도 계수 (pKa)
- 5.1 · 5.10±0.33(Predicted)
- 색상
- 흰색에서 황백색까지
- 안정성
- 1 · 제공된 대로 구매일로부터 1년 동안 안정적입니다. DMSO의 용액이나 희석은 안정적이지 않습니다. 용액은 신선하게 만들어져 영업일 기준 1일 이내에 사용해야 합니다.
- InChIKey
- YACHGFWEQXFSBS-XYERBDPFSA-N
- SMILES
- C(O)(=O)/C=C(\C)/C[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)/C=C(\C)/C=C/C[C@@H](C)/C=C(/CC)\C=C\[C@@H]1OC(=O)C=C[C@@H]1C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P308+P316, P316, P321, P330, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 1230 3/PG 2
- HS 번호
- 29419090
- risk_code
- 23/25-36/38-39/23/24/25-23/24/25-11
- hazard_code
- F,T
- safety_code
- 7-16-24-33-45-36/37
- 위험 등급
- 3
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.
Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.
응용 분야
용도Leptomycin B is the dominant and most studied member of the leptomycin class, isolated from selected Streptomyces strains. Leptomycin B is a nanomolar active and specific nuclear export inhibitor. Its target is CRM1/exportin1, a protein in the nuclear export sequence (NES). Proteins affected include c-Abl, cyclin B1, HIV-1 Rev, IκB, MPF, MAP/ERK, MDM2/p53, NF-κB/IκB7 and PKA. Leptomycin B inhibits export of many RNAs, e.g. COX-2 and c-FOS mRNA. Leptomycin B also shows antifungal and antibacterial and potent antitumour activities.
일반 설명Leptomycin B is an anti-fungal antibiotic, anti-tumor cytotoxin that inhibits CRM1-dependent, NES-dependent nucleo-cytoplasmic translocation (nuclear export inhibitor). NES containing proteins include HIV-1 REV; actin, c-Abl, cyclin B1, MDM2/p53, IB, MPF, PKA and MEK.
상·하류 제품 정보
상류 원료
공급사100 곳
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北威德利化学试剂有限公司
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