기본 정보
- CAS
29477-83-6- 표준 SMILES
O=C1N[C@@H]2C(=C[C@H](O)[C@@H](O)[C@H]2O)c2cc3c(c(O)c21)OCO3- InChIKey
LZAZURSABQIKGB-AEKGRLRDSA-N- 분자식
- C14H13NO7
- 평균 분자량
- 307.25 g/mol
- 단동위원소 질량
- 307.06920175
개요
Narciclasine is a natural product found in Narcissus pseudonarcissus. It has a role as a metabolite.
이름 및 식별자
- 우선 이름
- Narciclasine
- IUPAC
- (2S,3R,4S,4aR)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one
- 현지명
- 마약
- 영어명
- narciclasine
- 분자식
- C14H13NO7
- 분자량
- 307.26
이름 및 동의어
Narciclasine29477-83-6DTXSID70183677(2S,3R,4S,4aR)-2,3,4,7-Tetrahydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one3,4,4a,5-Tetrahydro-2,3,4,7-tetrahydroxy-(1,3)dioxolo(4,5-j)phenanthridin-6(2H)-one(2S,3R,4S,4aR)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro-2H-(1,3)dioxolo(4,5-j)phenanthridin-6-oneRefChem:164832DTXCID10106168Lycoricidin-ALycorcidinolNarciclasinaNacriclasine
이름 더 보기
마약rciclasinNSC 266535BRN 1087400NarciclasinNarciclasine-RMNarciclasine, 99.9%Narciclasine, 10 mM in DMSO
NSC266535MFCD01729949[1,3]Dioxolo[4,5-j]phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-, (2S,3R,4S,4aR)-CHEMBL98745(2S,3R,4S,4aR)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro-[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one(2s,3r,4s,4ar)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2h)-oneNSC-266535(+)-Narciclasine
데이터베이스 식별자
- CAS
29477-83-6- PubChem CID
- 72376
- DTXSID
DTXSID70183677- ChEMBL
CHEMBL98745- ChEBI
CHEBI:70169- UNII
- U3LWZ78EKQ
- EC Number
- 687-829-7
- Nikkaji
- J53.933C
물성
구조 계산 물성
- XLogP
- -1.2
- 극성 표면적
- 128 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 523
물리화학적 성질
- 녹는점
- 250 · 250-252℃
- 끓는 점
- 447.77 °C · 447.77°C (rough estimate)
- 밀도
- 1.85 · 1.85±0.1 g/cm3 (20 ºC 760 Torr)
- 굴절률
- 1.53 · 1.5300 (estimate)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 10 mg/mL · DMSO: ≥10mg/mL
- 산도 계수 (pKa)
- 7.72 · 7.72±0.70(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- InChI
- InChI=1S/C14H13NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h1-2,6,9-10,12,16-19H,3H2,(H,15,20)/t6-,9+,10+,12-/m0/s1
- InChIKey
- LZAZURSABQIKGB-AEKGRLRDSA-N
- SMILES
- C1=C2[C@@]([H])(NC(=O)C3C2=CC2OCOC=2C=3O)[C@H](O)[C@H](O)[C@H]1O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H340 (97.6%): May cause genetic defects [Danger Germ cell mutagenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesMuta. 1B (97.6%)
안전 데이터
- risk_code
- 46
- hazard_code
- Xn
- safety_code
- 36
화학 및 산업
응용 분야
개요Narciclasine is a plant growth inhibitor that can be isolated from Narcissus bulbs. At 1 μM, it has been shown to induce apoptosis-mediated cytotoxicity in human cancer cells in vitro but not in normal fibroblasts. Narciclasine has been shown to regulate the Rho/Rho kinase/LIM kinase/cofilin signaling pathway by increasing GTPase RhoA activity, as well as inducing actin stress fiber formation in a RhoA-dependent manner.
용도Narciclasine is reasonably abundant in some Narcissus spp. and has served as a very useful intermediate for synthetic conversion into (+)-pancratistatin and to conduct a series of structure–activity relationship studies . Bicolorine, another member of the narciclasine series, is an unusual, completely aromatized quaternary alkaloid with an N-methyl group.
공급사100 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都曼思特生物科技有限公司18010516991 · [email protected]
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江苏永健医药科技有限公司17701422015 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
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成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [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]
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MedChemexpress LLC021-58955995 · [email protected]
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NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
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Aktin Chemicals, Inc.028-85159085 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
成都瑞芬思德丹生物科技有限公司2355253622; 18981954830 · [email protected]
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上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
成都麦德生科技有限公司028-82253651 18140204969 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海卓因生物科技有限公司021-61317773 · [email protected]
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上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
ALB Technology Limited702-983-3769 · [email protected]
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上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
碧语生物科技（上海）有限公司021-26018599
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
曼斯特（成都）生物科技有限公司18011593992 · [email protected]
추가 설명
정의ChEBI: A natural product found in Narcissus pseudonarcissus.
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