氯化两面针碱

  • CAS编号: 13063-04-2
  • 分子式: C21H18ClNO4
  • 分子量: 383.82
  • PubChem编号: 25659
有货

库存信息

关闭
货号 (SKU) 包装规格 是否现货 价格 数量
N117977-20mg
20mg 现货 Stock Image

基本描述

别名 2,3-二甲氧基-12-甲基-(1,3)-苯并二恶茂并(5,6-c)菲啶鎓氯化物
英文别名 2,3-Dimethoxy-12-methyl-[1,3]dioxolo[4',5':4,5]-benzo[1,2-c]phenanthridin-12-ium chloride | 2,3-Dimethoxy-12-methyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridin-12-ium chloride | angolinine | HY-N0498 | NSC 146397 | (1,3)-BENZODIOXOLO(5,6-c)PHENANTHRI
规格或纯度 分析标准品, ≥98%
英文名称 Nitidine chloride
运输条件 常规运输

AI解读

关联靶点(人)

TOP1 Tclin DNA topoisomerase I (7553 活性数据)
活性类型 Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TOP2A Tclin DNA topoisomerase II alpha (6317 活性数据)
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A498 (42825 活性数据)
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ACHN (49357 活性数据)
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CAKI-1 (44928 活性数据)
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CCRF-CEM (65223 活性数据)
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COLO 205 (50209 活性数据)
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DLD-1 (17511 活性数据)
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DMS-273 (14108 活性数据)
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DU-145 (51482 活性数据)
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HL-60 (67320 活性数据)
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HT-29 (80576 活性数据)
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K562 (73714 活性数据)
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KM12 (47707 活性数据)
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M14 (47487 活性数据)
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MCF7 (126967 活性数据)
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MOLT-4 (49676 活性数据)
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Panel NCI-60 (60 carcinoma cell lines) (1088 活性数据)
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OVCAR-3 (48710 活性数据)
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OVCAR-4 (44535 活性数据)
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OVCAR-5 (45555 活性数据)
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OVCAR-8 (47708 活性数据)
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PC-3 (62116 活性数据)
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RPMI-8226 (44974 活性数据)
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RXF 393 (41971 活性数据)
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RXF 631 (11415 活性数据)
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SF-295 (48000 活性数据)
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SK-MEL-2 (46422 活性数据)
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SK-MEL-28 (48833 活性数据)
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SK-MEL-5 (47095 活性数据)
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SK-OV-3 (52876 活性数据)
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SN12C (47755 活性数据)
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SNB-19 (46794 活性数据)
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SNB-78 (14240 活性数据)
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TK-10 (45540 活性数据)
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U-251 (51189 活性数据)
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UACC-257 (46019 活性数据)
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UACC-62 (47335 活性数据)
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UO-31 (46270 活性数据)
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XF498 (12972 活性数据)
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786-0 (47912 活性数据)
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A549 (127892 活性数据)
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NCI/ADR-RES (33767 活性数据)
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EKVX (44102 活性数据)
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NCI-H322M (45589 活性数据)
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HCC 2998 (41480 活性数据)
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HCT-116 (91556 活性数据)
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HOP-18 (11577 活性数据)
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HOP-92 (41141 活性数据)
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Hs-578T (29457 活性数据)
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关联靶点(其它种属)

pol Human immunodeficiency virus type 1 reverse transcriptase (18245 活性数据)
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Micrococcus luteus (7463 活性数据)
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Staphylococcus aureus (210822 活性数据)
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Aspergillus niger (16508 活性数据)
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Mycobacterium avium (4587 活性数据)
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Saccharomyces cerevisiae (19171 活性数据)
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Mycolicibacterium smegmatis (8003 活性数据)
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Plasmodium falciparum (966862 活性数据)
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Cryptococcus neoformans (21258 活性数据)
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Candida albicans (78123 活性数据)
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Mus musculus (284745 活性数据)
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Human immunodeficiency virus 1 (70413 活性数据)
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B16 (5829 活性数据)
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L1210 (27553 活性数据)
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P388 (20296 活性数据)
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M5076 (114 活性数据)
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Calf thymus DNA (4845 活性数据)
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作用机制

作用机制 Action Type target ID Target Name Target Type Target Organism Binding Site Name 参考文献

名称和识别符

分子类型 小分子
IUPAC Name 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium;chloride
INCHI InChI=1S/C21H18NO4.ClH/c1-22-10-13-7-17(23-2)18(24-3)8-15(13)14-5-4-12-6-19-20(26-11-25-19)9-16(12)21(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1
InChi Key QLDAACVSUMUMOR-UHFFFAOYSA-M
Canonical SMILES C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC.[Cl-]
Isomeric SMILES C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC.[Cl-]
WGK Germany 3
RTECS DF4935500
PubChem CID 25659
分子量 383.82

化学和物理性质

密度 1.35
熔点 281-282°C
分子量 383.800 g/mol
XLogP3
氢键供体数Hydrogen Bond Donor Count 0
氢键受体数Hydrogen Bond Acceptor Count 5
可旋转键计数Rotatable Bond Count 2
精确质量Exact Mass 383.092 Da
单同位素质量Monoisotopic Mass 383.092 Da
拓扑极表面积Topological Polar Surface Area 40.800 Ų
重原子数Heavy Atom Count 27
形式电荷Formal Charge 0
复杂度Complexity 516.000
同位素原子数Isotope Atom Count 0
定义的原子立体中心计数Defined Atom Stereocenter Count 0
未定义的原子立体中心计数Undefined Atom Stereocenter Count 0
定义的键立体中心计数Defined Bond Stereocenter Count 0
未定义的键立体中心计数Undefined Bond Stereocenter Count 0
所有立体化学键的总数The total count of all stereochemical bonds 0
共价键合单元计数Covalently-Bonded Unit Count 2

安全和危险性(GHS)

象形图 GHS06
信号词 Danger
危险声明

H300: 吞咽致命

预防措施声明

P321: 特殊处理(请参阅此标签上的...)。

P405: 密闭存放

P501: 将内容物/容器处理到。。。

P264: 处理后要彻底洗手。

P270: 使用本产品时,请勿进食、饮水或吸烟。

P330: 漱口

P301+P316: 如果吞咽:立即寻求紧急医疗救助。

WGK Germany 3
RTECS DF4935500

技术规格说明书

Purity(HPLC) 98-100(%)
Appearance(N117977) yellow powder or crystals
Proton NMR spectrum Conforms to Structure

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批号(Lot Number) 证书类型 日期 货号
L2116586 分析证书 23-09-21 N117977

此产品的引用文献

1. Li Danni, Liu Shaogang, Zhu Jiahao, Shen Liqun, Zhang Qi ying, Zhu Hua.  (2021)  Folic acid modified TPGS as a novel nano-micelle for delivery of nitidine chloride to improve apoptosis induction in Huh7 human hepatocellular carcinoma.  BMC Pharmacology & Toxicology,  22  (1): (1-11).  [PMID:33407916] [10.1186/s40360-020-00461-y]

参考文献

1. Li Danni, Liu Shaogang, Zhu Jiahao, Shen Liqun, Zhang Qi ying, Zhu Hua.  (2021)  Folic acid modified TPGS as a novel nano-micelle for delivery of nitidine chloride to improve apoptosis induction in Huh7 human hepatocellular carcinoma.  BMC Pharmacology & Toxicology,  22  (1): (1-11).  [PMID:33407916] [10.1186/s40360-020-00461-y]

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