58812-37-6

• 常用中文名：川楝素
• 常用英文名：Toosendanin
• CAS号：58812-37-6
• 分子式：C₃₀H₃₈O₁₁
• 分子量：574.616
• 相关类别： 原料药 抗寄生虫病药 驱肠虫药
• 发布时间：2018-09-11 18:46:28
• 更新时间：2025-08-25 10:03:40
• Toosendanin是从杜鹃花果实皮中提取的一种三萜,具有镇痛、杀虫和抗炎作用。

名称

• 中文名: 川楝素
• 英文名: Chuanliansu
• 中文别名: 苦楝素
• 英文别名: Toosendanin; (1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15R,16R,19S,21R)-6-(3-Furyl)-12,16,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0.0.0.0]henicosane-4,21-diyl diacetate; (1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,16R,19S,21R)-6-(3-Furyl)-12,16,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0.0.0.0]henicosane-4,21-diyl diacetate

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 714.0±60.0 °C at 760 mmHg
• 熔点: 178-180ºC
• 分子式: C₃₀H₃₈O₁₁
• 分子量: 574.616
• 闪点: 385.6±32.9 °C
• 精确质量: 574.241394
• PSA: 165.26000
• LogP: -0.38
• 外观性状: 白色结晶粉末
• 蒸汽压: 0.0±2.4 mmHg at 25°C
• 折射率: 1.619
• 储存条件: 室温
• 稳定性:

  纯品为白色针状晶体，无臭，味苦，易溶于乙醇、乙酸乙酯、丙酮、二氧六环、吡啶等，微溶于热水、氯仿、苯、乙醚等。熔点178～180℃（含一分子结晶水）。

• 分子结构:

  1、 摩尔折射率：139.13

  2、 摩尔体积（cm³/mol）：396.6

  3、 等张比容（90.2K）：1134.7

  4、 表面张力（dyne/cm）：66.9

  5、 极化率（10-24cm3）：55.15

生物活性

• 描述: Toosendanin是从杜鹃花果实皮中提取的一种三萜,具有镇痛、杀虫和抗炎作用。
• 相关类别:
  信号通路 >> 其他 >> 其他
  研究领域 >> 炎症/免疫
• 体内研究: 川芎丹宁(0.5和1mg/kg,每日腹腔注射7天)通过抑制M1巨噬细胞极化和调节NLRP3炎性体和Nrf2/HO-1信号传导来减轻DSS诱导的实验性结肠炎,并可能为治疗小鼠结肠炎提供一种新的中药专利药物[1]。动物模型：48只雄性C57BL/6小鼠,体重20-22g[1]。剂量：0.5和1 mg/kg。给药：每日腹腔注射7天。结果：对小鼠DSS诱导的结肠炎有保护作用。抑制DSS诱导的UC中促炎细胞因子的表达并改善氧化应激。
• 参考文献:

  [1]. Fan H, et al. Toosendanin alleviates dextran sulfate sodium-induced colitis by inhibiting M1 macrophage polarization and regulating NLRP3 inflammasome and Nrf2/HO-1 signaling. Int Immunopharmacol. 2019 Sep 11;76:105909.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : RC1030000 CAS REGISTRY NUMBER : 58812-37-6 LAST UPDATED : 199612 DATA ITEMS CITED : 7 MOLECULAR FORMULA : C30-H38-O11 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 98 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CTYAD8 Zhongcaoyao. Chinese Traditional and Herbal Medicine. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.11- 1980- Volume(issue)/page/year: 13,317,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 244 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CTYAD8 Zhongcaoyao. Chinese Traditional and Herbal Medicine. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.11- 1980- Volume(issue)/page/year: 13,317,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 13800 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CTYAD8 Zhongcaoyao. Chinese Traditional and Herbal Medicine. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.11- 1980- Volume(issue)/page/year: 13,317,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 14300 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CTYAD8 Zhongcaoyao. Chinese Traditional and Herbal Medicine. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.11- 1980- Volume(issue)/page/year: 13,317,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 14600 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CTYAD8 Zhongcaoyao. Chinese Traditional and Herbal Medicine. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.11- 1980- Volume(issue)/page/year: 13,317,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 4200 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CTYAD8 Zhongcaoyao. Chinese Traditional and Herbal Medicine. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.11- 1980- Volume(issue)/page/year: 13,317,1982 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Primate - monkey DOSE/DURATION : 2500 ug/kg/25D-I TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases REFERENCE : CTYAD8 Zhongcaoyao. Chinese Traditional and Herbal Medicine. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.11- 1980- Volume(issue)/page/year: 13,317,1982

安全

• 危害码 (欧洲): Xi
• 安全声明 (欧洲): 24/25
• 海关编码: 29389090

制备

存在于楝科植物川楝和苦楝的树皮和种核中。工艺过程：川楝树皮粉碎、浸提真空浓缩喷雾干燥得粗提物复合溶剂提取制成川楝素杀虫乳油（或加工制成川楝素可湿性粉杀虫剂）。