기본 정보
- CAS
436-77-1- 표준 SMILES
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3- InChIKey
IIQSJHUEZBTSAT-VMPREFPWSA-N- 분자식
- C37H40N2O6
- 평균 분자량
- 608.7 g/mol
- 단동위원소 질량
- 608.288637
개요
Fangchinoline is a bisbenzylisoquinoline alkaloid that is (1beta)- berbaman which has been substituted by methyl groups at the 2 and 2' positions, by methoxy groups at the 6, 6', and 12 positions, and by a hydroxy group at position 7. Isolated from Stephania tetrandra, it has been found to possess neuroprotective and anti-tumour activity. It has a role as an antioxidant, an antineoplastic agent, a neuroprotective agent, an anti-HIV-1 agent, an anti-inflammatory agent and a plant metabolite. It is a bisbenzylisoquinoline alkaloid, an aromatic ether and a macrocycle.
이름 및 식별자
- 우선 이름
- Fangchinoline
- IUPAC
- (1S,14S)-9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol
- 영어명
- (+)-FANGCHINOLINE
- 분자식
- C37H40N2O6
- 분자량
- 608.72
이름 및 동의어
Fangchinoline436-77-1(+)-Fangchinoline7-O-Demethyltetrandrine(+)-LimacineNSC-77036(1S,14S)-9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol953592C3ZBJ11.388CCHEBI:132893DTXSID4089349816H-1,24:6,9-dietheno-11,15-metheno-2H-pyrido(2',3':17,18)(1,11)dioxacycloeicosino(2,3,4-ij)isoquinolin-22-ol, 3,4,4a,5,16a,17,18,19-octahydro-12,21,26-trimethoxy-4,17-dimethyl-, (4aS,16aS)-
이름 더 보기
Hanfangichin BHanfangchin B（Fangchinoline）Tetrandrine BFANGCHINO-LINEFangchinoline-RMFANGCHINOLINE (RG)Fangchinoline (Standard)
(1S,14S)-9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo(22.6.2.23,6.18,12.114,18.027,31.022,33)hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2',3':17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolin-22-ol, 3,4,4a,5,16a,17,18,19-octahydro-12,21,26-trimethoxy-4,17-dimethyl-, (4aS,16aS)-7-O-demethyl-tetrandrineRefChem:139929DTXCID501323517berbaman-7-ol, 6,6',12-trimethoxy-2,2'-dimethyl-, (1beta)-Berbaman-7-ol, 6,6',12-trimethoxy-2,2'-dimethyl-Hanfangchin B
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 72.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 963
물리화학적 성질
- 녹는점
- 240 · 240~242℃
- 끓는 점
- 709.7 · 709.7±60.0 °C(Predicted)
- 밀도
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- 저장 조건
- 4 °C, · 4°C, protect from light
- 용해도
- Soluble in chloroform and methanol;
- 산도 계수 (pKa)
- 9.38 · 9.38±0.20(Predicted)
- 물리적 상태
- powder to crystal
- 색상
- White to Orange to Green
- 수용성
- 물에 약간 용해됨
- 주요 응용
- 대사체학비타민, 기능성 식품 및 천연 제품
- InChIKey
- IIQSJHUEZBTSAT-VMPREFPWSA-N
- SMILES
- OC1C(=CC2CCN([C@@]3([H])CC4=CC=C(C(OC5=CC=C(C=C5)C[C@]5([H])N(CCC6=CC(=C(C=C65)OC=1C3=2)OC)C)=C4)OC)C)OC
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- WGK 3
- HS 번호
- 2939.79.0000
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요A bisbenzylisoquino!ine alkaloid obtained from Limacia cuspidata (Miers.) Hook. f. et Thorn., the base crystallizes from Me2CO in the form of long, colourless needles. It is strongly laevorotatory with [α]D - 2120 (CHCI3) and has been shown to be the optical antipode of fanchinoline (q.v.).
용도(+)-Fangchinoline is an isolate from Stephania Tetrandra that shows anti-cancer activity. It inhibits breast adenocarcinoma proliferation through apoptosis induction. In addition, it has been shown to inhibit HIV-Type 1 replication.
공급사100 곳
南京普怡生物科技有限公司13814510036 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
成都健腾生物技术有限公司028-85159085 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南宁赛菲尔生物科技有限公司18877121284;15078879878
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
成都川研医工生物科技有限公司18280298385;18280298385 · [email protected]
上海诗丹德标准技术服务有限公司021-021-57127007-6622-6622 17621252073 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
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