1,5-bis(3-methoxybenzamidine-4-oxy)pentane | 124076-64-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,5-bis(3-methoxybenzamidine-4-oxy)pentane
• 英文别名: 3,3'-dimethoxy-4,4'-pentanediyldioxy-bis-benzamidine；3,3'-Dimethoxy-4,4'-pentandiyldioxy-bis-benzamidin；1.5-Bis-(2-methoxy-4-carbamimidoyl-phenoxy)-pentan；4,4'-(1,5-Pentanediylbis(oxy))bis(3-methoxybenzenecarboximidamide)；4-[5-(4-carbamimidoyl-2-methoxyphenoxy)pentoxy]-3-methoxybenzenecarboximidamide
• CAS: 124076-64-8
• 化学式: C₂₁H₂₈N₄O₄
• 分子量: 400.478
• InChiKey: TYWWXLGHQBRSIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  29
• 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：
  137
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-羟基-3-甲氧基苯甲腈 在 盐酸 、 氨 、 sodium ethanolate 作用下， 以 苯 为溶剂， 反应 126.0h， 生成 1,5-bis(3-methoxybenzamidine-4-oxy)pentane
  参考文献：
  名称：

  Analogs of 1,5-bis(4-amidinophenoxy)pentane (pentamidine) in the treatment of experimental Pneumocystis carinii pneumonia

  摘要：

  A series of 33 analogues of the anti-Pneumocystis carinii drug 1,5-bis(4-amidinophenoxy)pentane (pentamidine) was synthesized for screening against a rat model of P. carinii pneumonia (PCP). Twenty-five of the compounds showed efficacy against PCP when compared to a saline-treated control group. Two compounds, 1,4-bis(4-amidinophenoxy)butane (butamidine, 6) and 1,3-bis(4-amidino-2-methoxyphenoxy)propane (DAMP, 16), were statistically more effective than the parent drug in treating PCP in the rat model of infection. In addition to their activity against PCP, the compounds were also evaluated for antitrypsin activity, ability to inhibit thymidylate synthetase, affinity for DNA, and toxicity. No correlation was observed between the tested molecular interactions of the diamidines and their effectiveness against PCP.

  DOI：

  10.1021/jm00166a026

文献信息

• Amidine derivatives for treating amyloidosis
  申请人：Chalifour J. Robert

  公开号：US20070021483A1

  公开（公告）日：2007-01-25

  The present invention relates to the use of amidine compounds in the treatment of amyloid-related diseases. In particular, the invention relates to a method of treating or preventing an amyloid-related disease in a subject comprising administering to the subject a therapeutic amount of an amidine compound. Among the compounds for use according to the invention are those according to the following Formula, such that, when administered, amyloid fibril formation, neurodegeneration, or cellular toxicity is reduced or inhibited:

  本发明涉及在治疗与淀粉样相关疾病中使用氨基脲类化合物。特别地，本发明涉及一种治疗或预防受试者淀粉样相关疾病的方法，包括向受试者施用治疗剂量的氨基脲类化合物。根据本发明使用的化合物包括以下化学式的化合物，当施用时，可减少或抑制淀粉样纤维形成、神经退行性或细胞毒性：
• 138. The search for chemotherapeutic amidines. Part X. Substituted 4 : 4′-diamidino-αω-diphenoxyalkanes and -diphenyl ethers
  作者：S. S. Berg、G. Newbery

  DOI：10.1039/jr9490000642

  日期：——