盐酸吐根酚碱 | 5853-29-2

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 吐根碱生物碱
• 中文名称: 盐酸吐根酚碱
• 中文别名: 吐根酚碱氯化氢
• 英文名称: Cephaeline dihydrochloride
• 英文别名: (1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol;dihydrochloride
• CAS: 5853-29-2
• 化学式: C28H40Cl2N2O4
• 分子量: 539.5
• InChiKey: YAOHSWWVTZSRQM-JBKGYMEJSA-N

物化性质

• 溶解度：
  溶于二甲基亚砜

计算性质

• 辛醇/水分配系数(LogP)：
  5.48
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  63.2
• 氢给体数：
  4
• 氢受体数：
  6

安全信息

• 危险等级：
  6.1(b)

制备方法与用途

生物活性

Cephaeline dihydrochloride 是一种选择性的 CYP2D6 抑制剂，其 IC50 值为 121 μM。

靶点

• IC50: 121 μM (CYP2D6)
• Ki: 54 μM (CYP2D6)

体外研究

CYP2D6 在生成 9-O-demethylEmetine 的代谢活性方面表现最高，而该酶也显示出对 Cephaeline 生成的显著代谢活性。Cephaeline 对 CYP2C9、CYP2D6 和 CYP3A4 的 IC50 分别为大于 1000 μM、121 μM 和 1000 μM。进一步实验用于确定 Cephaeline 在 CYP2D6 和 CYP3A4 活性中的抑制常数 (Ki)。通过针对两种酶的 Dixon 图分析，得出 CYP2D6 的 Ki 值为 54 μM，CYP3A4 的 Ki 值为 355 μM。

化学性质

• 类型：白至黄色粉末
• 溶解性：可溶于甲醇、乙醇和 DMSO 等有机溶剂
• 来源：吐根和安哥拉八角枫

用途

Cephaeline dihydrochloride 能有效杀灭溶织阿米巴滋养体，但有毒。

分类

• 类别：有毒物质
• 毒性分级：高毒

急性毒性

• 腹腔注射 - 大鼠 LD50: 10 mg/kg
• 口服 - 小鼠 LD50: 74.97 mg/kg

燃烧危险特性

热分解会产生有毒的氮氧化物和氯化氢烟雾。

储运特性

• 存储：库房低温通风干燥
• 运输：与食品原料分开存放

灭火剂

• 水
• 二氧化碳
• 泡沫
• 干粉

文献信息

• Cancer Stem Cells And Uses Thereof
  申请人：Hansford Loen M.

  公开号：US20080038770A1

  公开（公告）日：2008-02-14

  Disclosed are enriched preparations of neuroblastoma tumor initiating cells (NB TICs). The NB TICs are capable of self-renewal, initiating neuroblastoma tumor growth in vivo and are capable of being passaged in high frequency. These NB TICs have chromosomal abnormalities and are capable of giving rise to secondary tumor spheres. Methods are also disclosed for preparing the enriched preparations of NB TICs, such as from neuroblastoma tumor tissue and metastasized bone marrow. Also disclosed are methods of screening candidate substances to identify therapeutic agents for the treatment of neuroblastoma. Methods are also provided for screening a sample for neuroblastoma, as well as for screening a sample to identify the stage of neuroblastoma present. Kits are also provided for selecting appropriate anti-neuroblastoma compounds for a patient, and utilize isolated compositions of the patients' neuroblastoma tumor initiating cells. In this manner, a customized medicinal profile for the patient may be devised.
• NOVEL CHEMICAL ENTITIES AFFECTING NEUROBLASTOMA TUMOR-INITIATING CELLS
  申请人：KAPLAN DAVID R.

  公开号：US20090036387A1

  公开（公告）日：2009-02-05

  Disclosed are neuroblastoma tumor-initiating cell inhibiting compositions comprising chemical entities capable of affecting neuroblastoma tumor-initiating cells. Pharmaceutical preparations that include these chemical entities are also provided for the treatment of neuroblastoma. These pharmaceutical preparations are suitable for the treatment of humans, and are particularly suited for the treatment of children of 12 years of age or younger having neuroblastoma. The compositions and pharmaceutical preparations posses reduced normal cell cytotoxicity. The compositions and pharmaceutical preparations may be used alone or together with other conventional neuroblastoma preparations as part of a clinical regimen in the treatment and management of neuroblastoma.
• CANCER STEM CELLS AND USES THEREOF
  申请人：Hansford Leon M.

  公开号：US20100105574A1

  公开（公告）日：2010-04-29

  Disclosed are enriched preparations of neuroblastoma tumor initiating cells (NB TICs). The NB TICs are capable of self-renewal, initiating neuroblastoma tumor growth in vivo and are capable of being passaged in high frequency. These NB TICs have chromosomal abnormalities and are capable of giving rise to secondary tumor spheres. Methods are also disclosed for preparing the enriched preparations of NB TICs, such as from neuroblastoma tumor tissue and metastasized bone marrow. Also disclosed are methods of screening candidate substances to identify therapeutic agents for the treatment of neuroblastoma. Methods are also provided for screening a sample for neuroblastoma, as well as for screening a sample to identify the stage of neuroblastoma present. Kits are also provided for selecting appropriate anti-neuroblastoma compounds for a patient, and utilize isolated compositions of the patients' neuroblastoma tumor initiating cells. In this manner, a customized medicinal profile for the patient may be devised.
• AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES
  申请人：Sun Xiujun

  公开号：US20110251182A1

  公开（公告）日：2011-10-13

  This invention relates to methods of screening for modulators of mammalian cell injury cause by TRPM7 gene and protein activity, compounds that modulate TRPM7 gene and protein activity and methods of treatment of mammalian cell injury using modulators of TRPM7 gene and protein activity.
• US7632678B2
  申请人：——

  公开号：US7632678B2

  公开（公告）日：2009-12-15