[(2R,4R,5S,6R)-2-Hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl] (E)-4-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-4-oxobut-2-enoate
기본 정보
- CAS
88899-56-3- 표준 SMILES
CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC(=O)/C=C/C(=O)NC3=C(O)CCC3=O)[C@H](C)[C@@H](C(C)C)O2)OC1=O- InChIKey
KFUFLYSBMNNJTF-ANDWMEETSA-N- 분자식
- C44H65NO13
- 평균 분자량
- 816 g/mol
- 단동위원소 질량
- 815.44559113
개요
Bafilomycin B1 has been reported in Streptomyces with data available.
이름 및 식별자
- 우선 이름
- [(2R,4R,5S,6R)-2-Hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl] (E)-4-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-4-oxobut-2-enoate
- IUPAC
- [(2R,4R,5S,6R)-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl] (E)-4-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-4-oxobut-2-enoate
- 영어명
- BAFILOMYCIN B1
- 분자식
- C44H65NO13
- 분자량
- 815.99
이름 및 동의어
orb1710330CHEMBL1076858SCHEMBL29617254HY-N6738AKOS030213159CS-0099774G17634T10455[(2R,4R,5S,6R)-2-Hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyl-6-propan-2-yloxan-4-yl] (E)-4-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-4-oxobut-2-enoateCID 74030053BAFILOMYCIN B1BAFILOMYCIN B1 USP/EP/BP
이름 더 보기
ino)carbonyl)-2-methoxy-24-methyl-bafilomycin b1from streptomyces sp.BafilomycinB1fromStreptomycesgriseusBAFILOMYCIN B1 MONOHYDRATE FROM STREPTO- MYCES SPECIEShygrolidin,37-decarboxy-2-demethyl-37-(((2-hydroxy-5-oxo-1-cyclopenten-1-yl)am37-De(carboxy)-2-demethyl-37-[[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]carbonyl]-2-methoxy-24-methylhygrolidin
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 207 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 58
- 형식 전하
- 0
- 복잡도
- 1,670
물리화학적 성질
- 저장 조건
- 20 °C · −20°C
- 용해도
- DMSO: Soluble; Methanol: Unstable
- 물리적 상태
- 분말 또는 결정
- 색상
- 희미한 노란색에서 노란색까지
- BRN
- 4640118 · 4640118
- 안정성
- 흡습성
- InChIKey
- KFUFLYSBMNNJTF-JUFZODOZSA-N
- SMILES
- C1(O)(C(C)C(O)C(C)C2OC(=O)C(OC)=CC(C)=CC(C(O)C(C)CC(C)=CC=CC2OC)C)OC(C(C)C(OC(=O)/C=C/C(=O)NC2=C(O)CCC2=O)C1)C(C)C |c:28,t:14,17,26|
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- rtecs
- NG8841000
- ridadr
- UN 3462 6.1/PG 1
- HS 번호
- 2941900000
- risk_code
- 26/27/28
- hazard_code
- T+
- safety_code
- 36/37/39-45
- 위험 등급
- 3
- F 고인화성물질
- 10-21
화학 및 산업
응용 분야
개요Bafilomycin B1 is a fungal metabolite that has been found in Streptomyces and has diverse biological activities. It inhibits the activity of rat liver lysosomal vacuolar H+-ATPase (V-ATPase) in a concentration-dependent manner. Bafilomycin B1 (10-1,000 nM) induces autophagosome accumulation in MCF-7 cells. It inhibits chloroquine-induced apoptosis in primary cerebellar granule neurons (CGNs) when used at a concentration of 1 nM. Bafilomycin B1 reduces viral genome copy numbers in the culture supernatant of Vero E6 cells infected with H1N1 influenza A.
용도Bafilomycin B1 is a member of a potent family of macrocyclic lactones. Bafilomycin B1 shares the same mode of action and activity as its more accessible A1 analogue. Bafilomycin B1 is broadly active against bacteria, fungi, insects, nematodes and protozoans. Bafilomycin B1 has attracted interest as a potential agent for treating osteoporosis.
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