N-[3-(4-ethylphenoxy)propoxy]acetamide | 1026247-16-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-[3-(4-ethylphenoxy)propoxy]acetamide
• CAS: 1026247-16-4
• 化学式: C₁₃H₁₉NO₃
• 分子量: 237.299
• InChiKey: CNOVMJKIPOPXCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-[3-(4-ethylphenoxy)propoxy]acetamide 在 盐酸 作用下， 以 甲醇 、 乙二醇二甲醚 为溶剂， 反应 30.0h， 生成 1-[Amino-[3-(4-ethylphenoxy)propoxyamino]methylidene]-2-propan-2-ylguanidine
  参考文献：
  名称：

  Phenoxypropoxybiguanides, Prodrugs of DHFR−Inhibiting Diaminotriazine Antimalarials

  摘要：

  A total of 34 analogues of the biguanide PS-15 (5s), a prodrug of the diaminotriazine WR99210 (8s), have been prepared. Several of them, such as 5b (PS-33) and 5m. (PS-26), maintain or exceed the in vivo activity of PS-15 while not requiring the use of highly regulated starting materials. The putative diaminotriazine metabolites of these new analogues (compounds 8) have also been prepared and shown to maintain the activity against resistant P. falciparum strains. The structure-activity relationships of biguanides 5 and putative metabolites 8 are discussed.

  DOI：

  10.1021/jm010089z
• 作为产物：
  描述：

  4-乙基苯酚 在 sodium hydroxide 、 四丁基硫酸氢铵 作用下， 以 乙二醇甲醚 为溶剂， 反应 46.0h， 生成 N-[3-(4-ethylphenoxy)propoxy]acetamide
  参考文献：
  名称：

  Phenoxypropoxybiguanides, Prodrugs of DHFR−Inhibiting Diaminotriazine Antimalarials

  摘要：

  A total of 34 analogues of the biguanide PS-15 (5s), a prodrug of the diaminotriazine WR99210 (8s), have been prepared. Several of them, such as 5b (PS-33) and 5m. (PS-26), maintain or exceed the in vivo activity of PS-15 while not requiring the use of highly regulated starting materials. The putative diaminotriazine metabolites of these new analogues (compounds 8) have also been prepared and shown to maintain the activity against resistant P. falciparum strains. The structure-activity relationships of biguanides 5 and putative metabolites 8 are discussed.

  DOI：

  10.1021/jm010089z

文献信息

• Phenoxypropoxybiguanides, Prodrugs of DHFR−Inhibiting Diaminotriazine Antimalarials
  作者：Norman P. Jensen、Arba L. Ager、Robert A. Bliss、Craig J. Canfield、Barbara M. Kotecka、Karl H. Rieckmann、Jacek Terpinski、David P. Jacobus

  DOI：10.1021/jm010089z

  日期：2001.11.1

  A total of 34 analogues of the biguanide PS-15 (5s), a prodrug of the diaminotriazine WR99210 (8s), have been prepared. Several of them, such as 5b (PS-33) and 5m. (PS-26), maintain or exceed the in vivo activity of PS-15 while not requiring the use of highly regulated starting materials. The putative diaminotriazine metabolites of these new analogues (compounds 8) have also been prepared and shown to maintain the activity against resistant P. falciparum strains. The structure-activity relationships of biguanides 5 and putative metabolites 8 are discussed.