1,4-butanediyl di-4-pyridine carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1,4-butanediyl di-4-pyridine carboxylate
• 英文别名: Butane-1,4-diyl bis(pyridine-4-carboxylate)；4-(pyridine-4-carbonyloxy)butyl pyridine-4-carboxylate
• 化学式: C₁₆H₁₆N₂O₄
• 分子量: 300.314
• InChiKey: MDZMEXOVSLWLHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  78.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  五羰基溴化锰(I) 、 1,4-butanediyl di-4-pyridine carboxylate 以 丙酮 为溶剂， 反应 30.0h， 以82%的产率得到[Mn(CO)₃Br(μ-1,4-butanediyl di-4-pyridine carboxylate)]₂
  参考文献：
  名称：

  Self-assembly of a fac-Mn(CO)₃-core containing dinuclear metallacycles using flexible ditopic linkers

  摘要：

  使用Mn(CO)₅Br和适应性二吡啶连接物，实现了灵活的双锰金属环。已经探索了Mn(i)-双核金属环的宿主-客体化学。

  DOI：

  10.1039/c5dt01866h
• 作为产物：
  描述：

  1,4-二溴丁烷 、 sodium pyridine-4-carboxylate 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以75%的产率得到1,4-butanediyl di-4-pyridine carboxylate
  参考文献：
  名称：

  Nanoscaled inclusion complexes of β-cyclodextrin with binuclear compounds based on diols containing fragments of selected aromatic monocarboxylic acids

  摘要：

  Stable nanoscaled mono- and dimeric inclusion complexes of beta-cyclodextrin with hosts based on symmetric diols of various length containing fragments of benzoic, nicotinic, or isonicotinic acid were synthesized.

  DOI：

  10.1134/s1070363214040252

文献信息

• Self-assembly of oxamidato bridged ester functionalised dirhenium metallastirrups: synthesis, characterisation and cytotoxicity studies
  作者：Buthanapalli Ramakrishna、R. Nagarajaprakash、V. Veena、N. Sakthivel、Bala. Manimaran

  DOI：10.1039/c5dt02205c

  日期：——

  Hetero-topic self-assembly of Re₂(CO)₁₀ with oxamide ligands and ester-functionalised flexible ditopic-tectons afforded dinuclear metallacycles resembling a stirrup. The metallastirrups showed promising cytotoxic activity against few cancer cell lines in vitro.

  Re₂(CO)₁₀与草酰胺配体和酯基功能化的柔性二核-双主体构件的异位自组装形成了类似马镫的二核金属环。这些金属马镫在体外对少数癌细胞系表现出有希望的细胞毒活性。
• Self-assembly of manganese(<scp>i</scp>) based thiolato bridged dinuclear metallacycles: synthesis, characterization, cytotoxicity evaluation and CO-releasing studies
  作者：Udit Kumar、Shilpa Jose、Dhanaraj Divya、Pitchavel Vidhyapriya、Natarajan Sakthivel、Bala. Manimaran

  DOI：10.1039/c8nj06271d

  日期：——

  Manganese(i) based thiolato bridged dinuclear metallacycles were assessed as anticancer agents along with myoglobin assay for CO-releasing studies.

  基于硫代桥联的二核锰配合物被评估为抗癌药物，并与肌红蛋白测定一起用于CO释放研究。
• Synthesis, characterisation and cytotoxicity evaluation of rhenium(I) based ester functionalised dinuclear metallacyclophanes
  作者：Chowan Ashok Kumar、S. Karthikeyan、Babu Varghese、V. Veena、N. Sakthivel、Bala. Manimaran

  DOI：10.1016/j.jorganchem.2014.04.025

  日期：2014.9

  Self-assembly of four components has resulted into the formation of M2L2 type dinuclear metallacyclophanes [Re(CO)(3)Br(mu-L)](2)(1-5), using flexible ester functionalised organic spacers and metal precursor containing fac-Re(CO)(3) corners. The dinuclear metallacyclophanes were synthesized from ReBr(CO) 5 and ditopic pyridyl ligands (L) (L etdp, prdp, budp, pedp and hedp). The self-assembled compounds 1-5 were characterised by elemental analysis, IR, NMR, absorption and emission spectroscopic techniques. Molecular structure of 1 and 2 have been characterised by single crystal X-ray diffraction methods and the molecular masses of 3-5 were evaluated by ESI-MS. Cytotoxicity studies of metallacyclophanes 1, 3 and 5 on six different cancer and normal cells revealed that the metallacyclophanes selectively inhibit certain cancer cells. Especially, compound 5 showed broad-spectrum inhibitory activities in five cancer cells tested with low IC50 value comparable to a reference compound (cisplatin). The anticancer activity of compound 5 is attributed to the induction of early apoptosis. Hence, this class of compounds forms potential anticancer agents. (C) 2014 Elsevier B. V. All rights reserved.
• Nanoscaled inclusion complexes of β-cyclodextrin with binuclear compounds based on diols containing fragments of selected aromatic monocarboxylic acids
  作者：G. I. Kurochkina、M. K. Grachev、T. A. Batalova

  DOI：10.1134/s1070363214040252

  日期：2014.4

  Stable nanoscaled mono- and dimeric inclusion complexes of beta-cyclodextrin with hosts based on symmetric diols of various length containing fragments of benzoic, nicotinic, or isonicotinic acid were synthesized.
• Self-assembly of a fac-Mn(CO)₃-core containing dinuclear metallacycles using flexible ditopic linkers
  作者：S. Karthikeyan、R. Nagarajaprakash、Garisekurthi Satheesh、Chowan Ashok Kumar、Bala. Manimaran

  DOI：10.1039/c5dt01866h

  日期：——

  Flexible dimanganese metallacycles have been achieved using Mn(CO)₅Br and adaptable ditopic pyridyl linkers. The host–guest chemistry of Mn(i)-dinuclear metallacycles has been explored.

  使用Mn(CO)₅Br和适应性二吡啶连接物，实现了灵活的双锰金属环。已经探索了Mn(i)-双核金属环的宿主-客体化学。