Endothall disodium salt | 129-67-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Endothall disodium salt
• 英文别名: disodium 1-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate；sodium 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate；disodium demethylcantharate；disodium endothallate；Na2(demethylcantharate)；Na2(DCA)
• CAS: 129-67-9；13114-29-9；33054-59-0；63950-96-9；67021-64-1
• 化学式: C₈H₈O₅*2Na
• 分子量: 230.128
• InChiKey: KZPNUWRDSBFEFS-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -5.72
• 重原子数：
  14.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  89.49
• 氢给体数：
  0.0
• 氢受体数：
  5.0

安全信息

• 危险等级：
  6.1(a)
• 危险类别码：
  R36/37/38,R25,R21
• 包装等级：
  II
• 危险类别：
  6.1(a)
• 危险品运输编号：
  UN 2588

制备方法与用途

类别

农药

毒性分级

高毒

急性毒性

口服- 大鼠 LD50: 51 毫克/ 公斤

储运特性

库房通风低温干燥; 与食品原料分开储运

灭火剂

干粉、泡沫、砂土

反应信息

• 作为反应物：
  描述：

  2,4,6-三氯苯甲酰氯 、 Endothall disodium salt 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 生成
  参考文献：
  名称：

  结合的真菌细胞毒素illudin M具有改善的肿瘤特异性。

  摘要：

  描述了一种从巴斯德油菌Omphalotus olearius的培养液中分离出克量的illudin M的简化程序。合成了含有二十二碳六烯酸，苯丁酸氮芥，去甲基邻苯二甲din啶酸（endothall）和2,2'-联吡啶基-5,5'-二羧酸的illudin M酯，并测试了两种临床相关肿瘤细胞系（Panc- 1胰腺癌和HT-29结肠癌）和非恶性人包皮成纤维细胞。脱甲基cantharidin和联吡啶共轭物保留了母体illudin M的细胞毒性，同时对成纤维细胞的肿瘤细胞显示出更高的特异性。

  DOI：

  10.1016/j.bmc.2008.08.015
• 作为产物：
  描述：

  去甲斑蝥素 在 sodium hydroxide 作用下， 以 水 为溶剂， 生成 Endothall disodium salt
  参考文献：
  名称：

  Crystal structures, DNA interaction and antiproliferative activities of the cobalt(II) and zinc(II) complexes of 2-amino-1,3,4-thiadiazole with demethylcantharate

  摘要：

  Two new mixed-ligand complexes [M(atdz)(DCA)(H2O)(2)]center dot 2H(2)O, (M = Co(II), Zn(II); atdz = 2-amino-1,3,4-thiadiazole, C2H3N3S; DCA = demethylcantharate, 7-oxabicyclo[2,2,1] heptane-2,3-dicarboxylate, C8H8O5) were prepared and characterized by elemental analysis. The structures of the complexes were determined by X-ray diffraction. The crystals have empirical formulas CoC10H19N3O9S (1) and ZnC10H19N3O9S (2), respectively. Complex 1 and 2 are monoclinic systems with space group P2(1)/m. The structures of the complexes assume severely distorted octahedral geometries. The DNA binding properties of the complexes were investigated by electronic absorption spectra, thermal denaturation studies, fluorescence quenching studies and viscosity measurements. All the results showed the interaction modes between the complexes and DNA were partial intercalation. The results of agarose gel electrophoresis indicated the complexes could cleave supercoiled DNA. The antiproliferative activities testing revealed that all the complexes showed weak to moderate activities against human hepatoma cells (SMMC7721) and human breast cells (MCF-7) in vitro. Crown Copyright (C) 2010 Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.06.039

文献信息

• Crystal structures, DNA interaction and growth inhibitory activities of the cobalt(II) and nickel(II) complexes of 2-aminothiazole with demethylcantharate
  作者：Na Wang、Qiu-Yue Lin、Yi-Hang Wen、Li-Chun Kong、Shi-Kun Li、Fan Zhang

  DOI：10.1016/j.ica.2011.12.028

  日期：2012.4

  Two new mixed-ligand complexes [M(atz)(DCA)(H2O)(2)]center dot 2H(2)O, (M = Co(II), Ni(II); atz = 2-aminothiazole, C3H4N2S; DCA(2) = demethylcantharate, 7-oxabicyclo[2,2,1]heptane-2,3-dicarboxylate, C8H8O5) were prepared and characterized by elemental analysis, infrared spectra and thermogravimetric analysis. The structures of the complexes were determined by X-ray diffraction. The crystals have empirical formulas CoC11H20N2O9S (1) and NiC11H20N2O9S (2), respectively. Complexes 1 and 2 are monoclinic systems with space group P2(1)/m. The structures of the complexes assume severely distorted octahedral geometries. The DNA binding properties of the complexes were investigated by fluorescence quenching studies and viscosity measurements. For the complexes quenching the fluorescence of EB-DNA system, Stern-Volmer quenching constant K-sq values are 0.58 (1) and 1.38 (2), and the interaction modes between the complexes and DNA are partial intercalation. They have moderate activities against human hepatoma cell lines (SMMC7721) and human gastric carcinoma cell lines (MGC80-3) in vitro. Crown Copyright (C) 2011 Published by Elsevier B. V. All rights reserved.