N¹,N³-bis(3,5-dimethoxyphenyl)isophthalamide

• 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: N¹,N³-bis(3,5-dimethoxyphenyl)isophthalamide
• 英文别名: 1-N,3-N-bis(3,5-dimethoxyphenyl)benzene-1,3-dicarboxamide
• 化学式: C₂₄H₂₄N₂O₆
• 分子量: 436.464
• InChiKey: MCVBOZWEFDMXJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  95.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  间苯二甲酸 、 3,5-二甲氧基苯胺 在 吡啶 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 生成 N¹,N³-bis(3,5-dimethoxyphenyl)isophthalamide
  参考文献：
  名称：

  Cytotoxic small molecule dimers and their inhibitory activity against human breast cancer cells

  摘要：

  Small molecules based upon natural product dimers that exhibit cytotoxic activity were synthesized and evaluated for their anti-proliferative activity in human breast cancer cell lines. A central isophthalic core structure linking aromatic amines containing 3,5-disubstitutions produced the most active compounds. This series of compounds was found to be more active against the estrogen receptor positive cell line MCF-7 than the estrogen receptor negative cell line, SKBr3. (C)2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.07.014

文献信息

• ‘Twisted’ isophthalamide analogues
  作者：Simon J. Brooks、Louise S. Evans、Philip A. Gale、Michael B. Hursthouse、Mark E. Light

  DOI：10.1039/b413654c

  日期：——

  Steric interactions in 1,3-dicarboxamidoanthraquinones have been employed to ‘twist’ isophthalamide-like anion binding sites; the crystal structure of the fluoride complex of a bis-3,5-dichlorophenylamide derivative shows the receptor acting as a ‘hydrogen-bonding corner’ in a ‘2 + 2’ fluoride containing molecular box.

  1,3-二羧酰胺蒽醌中的立体相互作用被用来“扭曲”异苯甲酰胺类阴离子结合位点；一种双-3,5-二氯苯酰胺衍生物的氟化物络合物的晶体结构显示，该受体在一个含有“2 + 2”氟离子的分子盒中作为“氢键角”发挥作用。
• Cytotoxic small molecule dimers and their inhibitory activity against human breast cancer cells
  作者：M. Kyle Hadden、Brian S.J. Blagg

  DOI：10.1016/j.bmcl.2007.07.014

  日期：2007.9

  Small molecules based upon natural product dimers that exhibit cytotoxic activity were synthesized and evaluated for their anti-proliferative activity in human breast cancer cell lines. A central isophthalic core structure linking aromatic amines containing 3,5-disubstitutions produced the most active compounds. This series of compounds was found to be more active against the estrogen receptor positive cell line MCF-7 than the estrogen receptor negative cell line, SKBr3. (C)2007 Elsevier Ltd. All rights reserved.