4,4'-Dicarboxy-α,ω-diphenoxy-heptan | 74774-55-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4,4'-Dicarboxy-α,ω-diphenoxy-heptan
• 英文别名: 4-[7-(4-Carboxyphenoxy)heptoxy]benzoic acid
• CAS: 74774-55-3
• 化学式: C₂₁H₂₄O₆
• 分子量: 372.418
• InChiKey: KYUMFUHAEPSERT-UHFFFAOYSA-N

物化性质

• 熔点：
  245-248 °C
• 沸点：
  587.5±35.0 °C(Predicted)
• 密度：
  1.217±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  27
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4,4'-Dicarboxy-α,ω-diphenoxy-heptan 在 氯化亚砜 作用下， 反应 6.0h， 生成 4-[7-(4-carbonochloridoylphenoxy)heptoxy]benzoyl chloride
  参考文献：
  名称：

  Aguilera, C.; Ahmad, S.; Bartulin, J., Molecular Crystals and Liquid Crystals (1969-1991), 1988, vol. 162, p. 277 - 282

  摘要：

  DOI：
• 作为产物：
  描述：

  1,7-二溴庚烷 在 氢氧化钾 、 sodium carbonate 作用下， 以 乙醇 、 环己酮 为溶剂， 反应 10.0h， 生成 4,4'-Dicarboxy-α,ω-diphenoxy-heptan
  参考文献：
  名称：

  Aguilera, C.; Ahmad, S.; Bartulin, J., Molecular Crystals and Liquid Crystals (1969-1991), 1988, vol. 162, p. 277 - 282

  摘要：

  DOI：

文献信息

• Anti-cancer formulation
  申请人：National Dong Hwa University

  公开号：EP2343051A2

  公开（公告）日：2011-07-13

  This invention relates to a pharmaceutical formulation containing z-butylidenephthalide and a polymer, e.g., a polyanhydride. Also disclosed is use of this formulation to treat tumor.

  本发明涉及一种药物制剂，该制剂含有邻苯二甲酸正丁酯和聚合物，如聚酸酐。本发明还公开了使用这种制剂治疗肿瘤的方法。
• Biological evaluation of bisbenzaldehydes against four Mycobacterium species
  作者：Davie Cappoen、Delphine Forge、Frank Vercammen、Vanessa Mathys、Mehdi Kiass、Virginie Roupie、Roel Anthonissen、Luc Verschaeve、Jean Jacques Vanden Eynde、Kris Huygen

  DOI：10.1016/j.ejmech.2013.03.023

  日期：2013.5

  A series of bisbenzaldehydes and structurally related analogs, conveniently synthesized via microwave-assisted reactions, were evaluated in vitro against drug susceptible and multi-drug resistant Mycobacterium tuberculosis, against virulent Mycobacterium bovis, against Mycobacterium ulcerans and against two Mycobacterium avium subspecies. Among the 33 substances that were tested, compound 12, i.e. 4,4'-[1,12-dodecanediyl(oxy)]bisbenzaldehyde, emerged as the most promising hit. Its activity was further confirmed in an intracellular growth inhibition assay of M. tb in murine J774 A.1 macrophages. None of the compounds showed significant cytotoxicity on human C3A hepatocytes in a neutral red dye uptake assay and no genotoxicity or mutagenicity was observed as demonstrated by a VITOTOX (TM) test and confirmed with a comet assay. (C) 2013 Elsevier Masson SAS. All rights reserved.
• ANTICANCER FORMULATION
  申请人：Chiou Tzyy-Wen

  公开号：US20110165201A1

  公开（公告）日：2011-07-07

  This invention relates to a pharmaceutical formulation containing z-butylidenephthalide and a polymer, e.g., a polyanhydride. Also disclosed is use of this formulation to treat tumor.
• US9585864B2
  申请人：——

  公开号：US9585864B2

  公开（公告）日：2017-03-07
• Aguilera, C.; Ahmad, S.; Bartulin, J., Molecular Crystals and Liquid Crystals (1969-1991), 1988, vol. 162, p. 277 - 282
  作者：Aguilera, C.、Ahmad, S.、Bartulin, J.、Mueller, H. J.

  DOI：——

  日期：——