6900-87-4

• 常用中文名：次乌头碱
• 常用英文名：Hypaconitine
• CAS号：6900-87-4
• 分子式：C₃₃H₄₅NO₁₀
• 分子量：615.711
• 相关类别： 生物化工 中草药成分
• 发布时间：2018-08-10 20:33:32
• 更新时间：2024-01-02 14:37:17
• 次乌头碱 (Hypaconitine) 是从乌头属种分离到的高毒性的天然活性成分,广泛用于治疗风湿病。

名称

• 中文名: 次乌头碱
• 英文名: Hypaconitine
• 中文别名: 次乌碱; 下乌头碱; 次乌碱
• 英文别名: Japaconitine C1; HYPACONITINE (PRIMARY STANDARD); Aconitane-8,13,14,15-tetrol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1α,6α,14α,15α,16β)-; Japaconitine B1; (1α,6α,14α,15α,16β)-8-(acetyloxy)-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate; DEOXYMESACONITINE; 15-tetraol,16,16-trimethoxy-4-(methoxymethyl)-20-methyl-18-aconitane-14; (1α,6α,14α,15α,16β)-8-Acetoxy-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate; Japaconitine C

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 671.3±55.0 °C at 760 mmHg
• 分子式: C₃₃H₄₅NO₁₀
• 分子量: 615.711
• 闪点: 359.8±31.5 °C
• 精确质量: 615.304321
• PSA: 133.22000
• LogP: 0.92
• 蒸汽压: 0.0±2.2 mmHg at 25°C
• 折射率: 1.607
• 储存条件: 库房低温,通风,干燥,与食品原料分开存放

生物活性

• 描述: 次乌头碱 (Hypaconitine) 是从乌头属种分离到的高毒性的天然活性成分,广泛用于治疗风湿病。
• 相关类别:
  信号通路 >> 细胞凋亡 >> TNF受体
  天然产物 >> 生物碱
  研究领域 >> 炎症/免疫
• 参考文献:

  [1]. Ling Ye, et al. Microsomal cytochrome P450-mediated metabolism of hypaconitine, an active and highly toxic constituent derived from Aconitum species. Toxicology letters, 2011, 204 (1): 81-91

  [2]. Yang Yuan, et al. Difference of hypaconitine concentration in serum between cold-deficiency and normal mice. China Journal of Chinese Materia Medica, 2010-15

  [3]. Zhang Jinming, Compatibility Effect between Radix Aconiti Lateralis and Radix Glycyrrhizae on Pharmacokinetics of Hypaconitine in Rat Plasma by LC-MS/MS. World Science Technology-Modernization of Traditional Chinese Medicine, 2011-06

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : AR5565000 CHEMICAL NAME : Aconitane-8,13,14,15-tetraol, 16,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate benzoate, (1-alpha,6-alpha,14-alpha,15-alpha,16-beta)- CAS REGISTRY NUMBER : 6900-87-4 LAST UPDATED : 199412 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C33-H45-N-O10 MOLECULAR WEIGHT : 615.79 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 5800 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 4,247,1981 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1010 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CYLPDN Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1980- Volume(issue)/page/year: 2,170,1981 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1900 ug/kg TOXIC EFFECTS : Behavioral - ataxia Lungs, Thorax, or Respiration - other changes REFERENCE : JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 35,159,1991 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 470 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 4,247,1981

安全

• 符号: GHS06
• 信号词: Danger
• 危害声明: H300
• 警示性声明: P301 + P310 + P330
• 安全声明 (欧洲): 24/25
• 危险品运输编码: UN 1544
• 包装等级: I
• 危险类别: 6.1(a)
• 海关编码: 29399990

合成路线

121236-31-5 ~92% 6900-87-4

文献：Kulanthaivel, Palaniappan; Pelletier, S. William Tetrahedron, 1988 , vol. 44, # 14 p. 4313 - 4320

3327-35-3 ~% 6900-87-4

文献：Tetrahedron, , vol. 44, # 14 p. 4313 - 4320

2752-64-9 ~% 6900-87-4

文献：Tetrahedron, , vol. 44, # 14 p. 4313 - 4320

302-27-2 ~% 6900-87-4

文献：Tetrahedron, , vol. 44, # 14 p. 4313 - 4320

139617-07-5 ~94% 6900-87-4

文献：Mori; Murayama; Bando; Kawahara Chemical and Pharmaceutical Bulletin, 1991 , vol. 39, # 11 p. 2803 - 2806

上下游产品

上游产品  5
121236-31-5 3327-35-3 2752-64-9 302-27-2
139617-07-5
下游产品  2
64-19-7 65-85-0