trans-(4'-methylpiperazinyl)-4-oxo-2-butenoic acid | 129795-76-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: trans-(4'-methylpiperazinyl)-4-oxo-2-butenoic acid
• 英文别名: but-2-ene-4'-carboxy-[1'-(4'-methylpiperazinyl)]-carboxamide；(E)-4-(4-methylpiperazin-4-ium-1-yl)-4-oxobut-2-enoate
• CAS: 129795-76-2
• 化学式: C₉H₁₄N₂O₃
• 分子量: 198.222
• InChiKey: XRJMKVGLGTYEFE-NSCUHMNNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  60.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-胺基去乙酰氧基头胞烷酸 、 trans-(4'-methylpiperazinyl)-4-oxo-2-butenoic acid 在 TEA 、 氯甲酸异丁酯 作用下， 以 二氯甲烷 为溶剂， 以70%的产率得到(E)-N-chrysen-6-yl-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enamide
  参考文献：
  名称：

  Polycyclic aromatic compounds as anticancer agents: structure–activity relationships of chrysene and pyrene derivatives

  摘要：

  A large number of diamides and diamines were synthesized using 6-amino chrysene and 1-amino pyrene as starting materials. A structure-activity study with cis-platinum as internal control against animal and human tumor lines was carried out in vitro. This study indicated that the in vitro cytotoxicity toward these lines depends on the functionality present in the molecules. The diamino compounds were found to be more potent than the diamides, and these were equally active irrespective of the end heterocyclic group, whereas the activity of the diamides was strongly dependent on the terminal unit. In general, the diamides containing chrysene as the chromophore were more active than those with a pyrene ring. The size of the end heterocyclic ring, along with the nature of the spacer connecting the polycyclic ring to the heterocyclic ring, seemed to affect the biological activity in certain cell lines. Hemolysis experiments on a lead compound established that it had activities similar to those described for membrane-stabilizing agents. This agent also demonstrated the capacity to produce differentiation in leukemia cell lines. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00297-2
• 作为产物：
  描述：

  N-甲基哌嗪 、 马来酸酐 以 二氯甲烷 为溶剂， 反应 5.0h， 以95%的产率得到trans-(4'-methylpiperazinyl)-4-oxo-2-butenoic acid
  参考文献：
  名称：

  Polycyclic aromatic compounds as anticancer agents: structure–activity relationships of chrysene and pyrene derivatives

  摘要：

  A large number of diamides and diamines were synthesized using 6-amino chrysene and 1-amino pyrene as starting materials. A structure-activity study with cis-platinum as internal control against animal and human tumor lines was carried out in vitro. This study indicated that the in vitro cytotoxicity toward these lines depends on the functionality present in the molecules. The diamino compounds were found to be more potent than the diamides, and these were equally active irrespective of the end heterocyclic group, whereas the activity of the diamides was strongly dependent on the terminal unit. In general, the diamides containing chrysene as the chromophore were more active than those with a pyrene ring. The size of the end heterocyclic ring, along with the nature of the spacer connecting the polycyclic ring to the heterocyclic ring, seemed to affect the biological activity in certain cell lines. Hemolysis experiments on a lead compound established that it had activities similar to those described for membrane-stabilizing agents. This agent also demonstrated the capacity to produce differentiation in leukemia cell lines. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00297-2

文献信息

• Oxabicycloheptanes and oxabicylcoheptenes, their preparation and use
  申请人：Kovach John S.

  公开号：US20090036309A1

  公开（公告）日：2009-02-05

  This invention provides compounds having the structure which may be used for the treatment of tumors.

  这项发明提供了具有该结构的化合物，可用于肿瘤治疗。
• A facile precursor route to transition metal molybdates using a polyzwitterionic matrix bearing simultaneously charged moieties and complexing groups
  作者：Fran�ois Rullens、Nicolas Deligne、Andr� Laschewsky、Michel Devillers

  DOI：10.1039/b418233b

  日期：——

  An unconventional but easily accessible precursor route involving the thermal treatment of hybrid precursors containing an ampholytic polymer matrix is developed to prepare multimetallic oxides of catalytic interest such as transition metal molybdates. A copolymer of diallyldimethylammonium chloride and a functionalized maleamic acid bearing an amine group suited for cation complexation was designed, synthesized and used as a matrix to stabilize inorganic species generated in solution from Ni(NO3)2·6H2O, Co(NO3)2·6H2O and/or Mn(NO3)2·4H2O together with (NH4)6Mo7O24·4H2O. UV–vis–NIR as well as 13C-NMR studies suggest that the interactions between the cations and the polymer in solution are mainly electrostatic. Only minor complexation interactions take place under certain conditions. Homogeneous hybrid blends were prepared from these solutions. The presence of a complexing amine group in addition to the charged betaine moieties in the polymer permits stabilization of more than stoichiometric amounts of the metal species in the blends. XRD measurements suggest that the homogeneity in the solid state can be kept up to about 1.5 mol of each metal that is incorporated (anionic as well as cationic) per mol of repeat units of the copolymer. The blends were calcined under air at 600 °C to produce the simple as well as mixed nickel, cobalt and manganese molybdates. Characterization of the final phases by XRD and Raman spectroscopy indicates that the α- as well as the β-molybdate phases can be prepared, and that the mixed structures are solid solutions of the simple NiMoO4, MnMoO4 and CoMoO4. If the precursors engaged are homogeneous, the pH of the precursor solution, the amount of metal that is incorporated in the matrix, and the nature of the polymer matrix seem to exert only a minor influence on the nature of the final phase, which demonstrates the versatility and facile applicability of the method.

  一种非常规但易于获取的前驱体合成路线被开发出来，通过热处理含有两性聚合物基体的混合前驱体，来制备具有催化意义的多金属氧化物，如过渡金属钼酸盐。设计、合成了一种双烯基二甲基氯化铵与一种带有适合阳离子络合的氨基功能化马来酸的共聚合物，并用作基体，以稳定从Ni(NO3)2·6H2O、Co(NO3)2·6H2O和/或Mn(NO3)2·4H2O及(NH4)6Mo7O24·4H2O溶液中生成的无机物种。UV-vis-NIR及13C-NMR研究表明，溶液中阳离子与聚合物之间的相互作用主要是静电的。只有在某些条件下发生少量的络合相互作用。通过这些溶液制备了均匀的混合物。聚合物中带有氨基的络合基团和带电的甜菜碱部分的存在，使得混合物中金属物种的稳定性超过化学计量比。XRD测量表明，在固态下的均匀性可以保持在每摩尔共聚单元中掺入约1.5摩尔的每种金属（阴离子和阳离子）。这些混合物在空气中以600 °C进行了焙烧，生成简单的以及混合的镍、钴和锰钼酸盐。通过XRD和拉曼光谱对最终相的表征表明可以制备α-和β-钼酸盐相，并且混合结构是简单的NiMoO4、MnMoO4和CoMoO4的固体溶液。如果所用前驱体是均匀的，前驱体溶液的pH值、基体中掺入的金属量及聚合物基体的性质似乎对最终相的性质只有轻微的影响，这表明该方法的多功能性和便捷适用性。
• Quinazoline Derivatives For Inhibiting Cancer Cell Growth And Method For The Preparation Thereof
  申请人：Ham Young Jin

  公开号：US20080009509A1

  公开（公告）日：2008-01-10

  The present invention relates to a novel quinazoline derivative and a pharmaceutically acceptable salt thereof for inhibiting the growth of cancer cells, a method for the preparation thereof and a pharmaceutical composition comprising same as an active ingredient.

  本发明涉及一种新型的喹唑啉衍生物及其药学上可接受的盐，用于抑制癌细胞的生长，其制备方法以及包含其作为活性成分的制药组合物。
• HUSAIN M. I.; MISKA S. N.; SHUKLA M. K., J. INDIAN CHEM. SOC., 1979, 56, NO 2, 171-172
  作者：HUSAIN M. I.、 MISKA S. N.、 SHUKLA M. K.

  DOI：——

  日期：——
• QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF
  申请人：Hanmi Pharm. Co., Ltd.

  公开号：EP1844022A1

  公开（公告）日：2007-10-17