25161-41-5

• 常用中文名：乙酰缬草三酯
• 常用英文名：Acevaltrate
• CAS号：25161-41-5
• 分子式：C₂₄H₃₂O₁₀
• 分子量：480.505
• 相关类别： 生物化工 植物提取物
• 发布时间：2018-07-20 21:56:57
• 更新时间：2024-01-02 08:58:46
• Acevaltrate 从 Valeriana glechomifolia 中分离,抑制大鼠肾和脑半球中 Na+/K+-ATP 酶活性,IC50 分别为 22.8±1.1 μM 和 42.3±1.0 μM[1]。

名称

• 中文名: 醋戊曲酯
• 英文名: [(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetyloxy-3-methylbutanoate
• 中文别名: 乙酰缬草三酯; 醋环氧戊喃
• 英文别名: Acevaltrate; (1S,6S,7R,7aS)-4-(Acetoxymethyl)-1-[(3-methylbutanoyl)oxy]-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-6-yl 3-acetoxy-3-methylbutanoate; Acetoxyvaltrate; EINECS 246-685-1; 1,7a-Dihydro-1,6-dihydroxyspiro(cyclopenta[c]pyran-7(6H),2'-oxirane)-4-methanol 4-Acetate 1(or 6)-Isovalerate 6(or 1)-(3-Hydroxy-3-methylbutyrate Acetate); Butanoic acid, 3-(acetyloxy)-3-methyl-, (1S,6S,7R,7aS)-4-[(acetyloxy)methyl]-6,7a-dihydro-1-(3-methyl-1-oxobutoxy)spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-6-yl ester; Acevaltratum; 3-(Acetyloxy)-3-methylbutanoic acid (1S-(1a,6a,7b,7aa))-4-((Acetyloxy)methyl)-6,7a-dihydro-1-(3-methyl-1-oxobutoxy)spiro(cyclopenta[c]pyran-7(1H),2'-oxiran)-6-yl Ester; Acetovaltrate; (1S,6S,7R,7aS)-4-[(acetyloxy)methyl]-1-[(3-methylbutanoyl)oxy]-6,7a-dihydro-1H-spiro[cyclopenta[c]pyran-7,2'-oxiran]-6-yl 3-(acetyloxy)-3-methylbutanoate

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 538.7±50.0 °C at 760 mmHg
• 分子式: C₂₄H₃₂O₁₀
• 分子量: 480.505
• 闪点: 229.0±30.2 °C
• 精确质量: 480.199554
• PSA: 126.96000
• LogP: 1.91
• 蒸汽压: 0.0±1.4 mmHg at 25°C
• 折射率: 1.531
• 储存条件: 2-8C

生物活性

• 描述: Acevaltrate 从 Valeriana glechomifolia 中分离,抑制大鼠肾和脑半球中 Na+/K+-ATP 酶活性,IC50 分别为 22.8±1.1 μM 和 42.3±1.0 μM[1]。
• 相关类别:
  信号通路 >> 跨膜转运 >> Na+/K+ATP酶
  天然产物 >> 萜类化合物和糖苷
  研究领域 >> 神经疾病
• 靶点:

  IC50: 22.8±1.1 μM (Na+/K+-ATPase, in rat kidney), 42.3±1.0 μM (Na+/K+-ATPase, in rat brain hemispheres)[1]

• 体外研究: 乙酰甲酸酯在体外差异抑制大鼠P型ATP酶的活性。在100μM时实现大鼠H +/K + -ATPase的60.7±7.3％抑制[1]。
• 参考文献:

  [1]. Bettero GM, et al. In vitro effect of valepotriates isolated from Valeriana glechomifolia on rat P-type ATPases. Planta Med. 2011 Oct;77(15):1702-6.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : EK7713300 CHEMICAL NAME : Butanoic acid, 3-(acetyloxy)-3-methyl-, 4-((acetyloxy)methyl)-6,7a-dihydro-1-(3-methyl-1- oxobutoxy)spiro(cyclopenta(c)pyran-7(1H),2'-oxiran)-6 -yl ester, (1S-(1-alpha,6-alpha,7-beta, 7a-alpha))- CAS REGISTRY NUMBER : 25161-41-5 LAST UPDATED : 199703 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C24-H32-O10 MOLECULAR WEIGHT : 480.56 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 : 65 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #3869476 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 7500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #3869476 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 70 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #3869476