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기본 정보
- CAS
54260-72-9- 표준 SMILES
COc1ccc2c(C)c3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Cl-]- InChIKey
MLEFNGNLISNJEQ-UHFFFAOYSA-M- 분자식
- C21H20ClNO4
- 평균 분자량
- 385.847 g/mol
- 단동위원소 질량
- 385.1080858
이름 및 식별자
- 우선 이름
- 9,10-Dimethoxy-13-methyl-5,6-dihydro-2H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride
- IUPAC
- 9,10-Dimethoxy-13-methyl-5,6-dihydro-2H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride
- 현지명
- 5,6-디하이드로-2,3-(메틸렌디옥시)-9,10-디메톡시-13-메틸디벤조[a,g]퀴놀리지늄
- 영어명
- 5,6-Dihydro-2,3-(methylenedioxy)-9,10-dimethoxy-13-methyldibenzo[a,g]quinolizinium
- 분자식
- C21H20ClNO4
- 분자량
- 385.8408
이름 및 동의어
5,6-디하이드로-2,3-(메틸렌디옥시)-9,10-디메톡시-13-메틸디벤조[a,g]퀴놀리지늄13-Methylberberine13-Methylberberinium Chlorid13-Methylberberine (chloride)13-Methylberberine chloride, 10 mM in DMSO13-methylberberine/13-Methylberberine chloride2,3-(Methylenedioxy)-9,10-dimethoxy-13-methyl-5H,6H-dibenzo[a,g]quinolizin-7-ium9,10-Dimethoxy-13-methyl-5,6-dihydrobenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium5,6-Dihydro-2,3-(methylenedioxy)-9,10-dimethoxy-13-methyldibenzo[a,g]quinolizinium9,10-Dimethoxy-13-methyl-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chlorideinhibit,Inhibitor,13 Methylberberine chloride,13Methylberberine chloride,Interleukin Related,13-Methylberberinium
데이터베이스 식별자
- CAS
54260-72-9- PubChem CID
- 148670
- DTXSID
DTXSID70969276- ChEMBL
CHEMBL462141- UNII
- VC5A9Y486B
물성
물리화학적 성질
- 녹는점
- 198 · 198-200 °C
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 1 mg/ml · Water: 1 mg/ml
- 물리적 상태
- 결정성 고체
- 색상
- Light yellow to yellow
화학 및 산업
응용 분야
개요13-Methylberberine (13-MB) (chloride) is a 13-methyl-substituted derivative of berberine . Berberine is a widely distributed berberidaceaen alkaloid found in plant tissues that has antibacterial, anti-inflammatory, antitumor, anti-obesity, and hypercholesterolemic activity. 13-MB has improved antibacterial activity against S. aureus (MIC = 125 μg/ml) and improved antitumor activity with a mean GI50 value of 11.7 μM, as compared to berberine. 13-MB also induces down-regulation of adipocyte differentiation transcription factors, reduces de novo lipid synthesis, and accumulates in murine 3T3-L1 adipocytes at higher levels than berberine, suggesting improved anti-obesity activity.
용도13-Methylberberinium Chloride can be used to treat and prevent immunoinflammatory dermal disorders. It can also be used in synthesis to result in derivatives that can be used to treat nerve diseases and anti-infective agents.
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