methyl 3-(4-aminobutoxy)benzoate | 899441-85-1

• 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: methyl 3-(4-aminobutoxy)benzoate
• CAS: 899441-85-1
• 化学式: C₁₂H₁₇NO₃
• 分子量: 223.272
• InChiKey: JBPXZEQQFIZNQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  61.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 3-(4-aminobutoxy)benzoate 在 sodium hydroxide 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 21.0h， 生成 3-[4-(4-Chloro-benzenesulfonylamino)-butoxy]-benzoic acid
  参考文献：
  名称：

  Synthesis and activities of new arylsulfonamido thromboxane A2 receptor antagonists

  摘要：

  New benzoic, benzeneacetic and thiazole-4-acetic acids bearing an arylsulfonamido alkyl or alkylhetero side chain were synthesized and tested in vitro for affinity for human platelet thromboxane A2 receptors and inhibition of U46619-induced rat aortic ring contraction. Influence of substitution patterns, chain length and presence of heteroatoms were studied and compounds within a 30 nmol range for inhibition of U46619-induced contractions were found. One of the most potent, 2-[(4-chloro-benzenesulfonylamino-ethyl)thio] thiazole-4-acetic acid (VII-4) was orally active (1 mg/kg), as evidenced by the inhibition of U46619-induced platelet aggregation in guinea pigs, ex vivo.

  DOI：

  10.1016/0223-5234(93)90093-t
• 作为产物：
  描述：

  methyl 3-(4-phthalimidobutoxy)benzoate 在 肼 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 methyl 3-(4-aminobutoxy)benzoate
  参考文献：
  名称：

  PPAR-activating compound

  摘要：

  本发明提供了一种选择性激活PPARα的化合物，可用作药物。本发明具体涉及以下一般式（1）所代表的苯甲酸衍生物：其中A代表氧原子、氮原子或硫原子；R代表氢原子、烷基、烯基、炔基、环烷基、环烷基烷基、芳基、芳基烷基、芳基氧基烷基、吡啶基烷基、烷氧羰基烷基或羧基烷基；X代表氧原子、NH基或S（O）n基（其中n代表0、1或2的整数）；m代表2到8的整数；或其盐。本发明还提供了一种包含所述苯甲酸衍生物或其盐作为活性成分的药物。

  公开号：

  US20060167058A1

文献信息

• PPAR-activating compound
  申请人：Yamazaki Yukiyoshi

  公开号：US20060167058A1

  公开（公告）日：2006-07-27

  The present invention provides a compound selectively activating PPARα, which is useful as a medicament. The present invention is specifically directed to a benzoic acid derivative represented by the following general formula (1): wherein A represents an oxygen atom, a nitrogen atom, or a sulfur atom; R represents a hydrogen atom, an alkyl group, an alkenyl group, an alkynyl group, a cycloalkyl group, a cycloalkyl-alkyl group, an aryl group, an aryl-alkyl group an aryl-oxy-alkyl group, a pyridyl-alkyl group, an alkoxycarbonyl-alkyl group, or a carboxy-alkyl group; X represents an oxygen atom, an NH group, or an S(O) n group (wherein n represents an integer of 0, 1, or 2); and m represents an integer from 2 to 8; or a salt thereof. The present invention also provides a medicament comprising the benzoic acid derivative or the salt thereof as an active ingredient.

  本发明提供了一种选择性激活PPARα的化合物，可用作药物。本发明具体涉及以下一般式（1）所代表的苯甲酸衍生物：其中A代表氧原子、氮原子或硫原子；R代表氢原子、烷基、烯基、炔基、环烷基、环烷基烷基、芳基、芳基烷基、芳基氧基烷基、吡啶基烷基、烷氧羰基烷基或羧基烷基；X代表氧原子、NH基或S（O）n基（其中n代表0、1或2的整数）；m代表2到8的整数；或其盐。本发明还提供了一种包含所述苯甲酸衍生物或其盐作为活性成分的药物。
• PPAR-ACTIVATING COMPOUND
  申请人：Kowa Company, Ltd.

  公开号：EP1857447A1

  公开（公告）日：2007-11-21

  The present invention provides a compound selectively activating PPARα, which is useful as a medicament. The present invention is specifically directed to a benzoic acid derivative represented by the following general formula (1): wherein A represents an oxygen atom, a nitrogen atom, or a sulfur atom; R represents a hydrogen atom, an alkyl group, an alkenyl group, an alkynyl group, a cycloalkyl group, a cycloalkyl-alkyl group, an aryl group, an aryl-alkyl group an aryl-oxy-alkyl group, a pyridyl-alkyl group, an alkoxycarbonyl-alkyl group, or a carboxy-alkyl group; X represents an oxygen atom, an NH group, or an S(O)n group (wherein n represents an integer of 0, 1, or 2) ; and m represents an integer from 2 to 8; or a salt thereof. The present invention also provides a medicament comprising the benzoic acid derivative or the salt thereof as an active ingredient.

  本发明提供了一种选择性激活 PPARα 的化合物，该化合物可用作药物。本发明具体涉及由以下通式（1）代表的苯甲酸衍生物： 其中 A 代表氧原子、氮原子或硫原子；R 代表氢原子、烷基、烯基、炔基、环烷基、环烷基-烷基、芳基、芳基-烷基、芳基-氧基-烷基、吡啶基-烷基、烷氧基羰基-烷基或羧基-烷基；X 代表氧原子、NH 基团或 S(O)n 基团（其中 n 代表 0、1 或 2 的整数）；以及 m 代表 2 至 8 的整数；或其盐。本发明还提供了一种包含苯甲酸衍生物或其盐作为活性成分的药物。
• US7301033B2
  申请人：——

  公开号：US7301033B2

  公开（公告）日：2007-11-27
• Synthesis and activities of new arylsulfonamido thromboxane A2 receptor antagonists
  作者：E Sartori、F Camy、JM Teulon、F Caussade、A Virone-Oddos、A Cloarec

  DOI：10.1016/0223-5234(93)90093-t

  日期：1993.1

  New benzoic, benzeneacetic and thiazole-4-acetic acids bearing an arylsulfonamido alkyl or alkylhetero side chain were synthesized and tested in vitro for affinity for human platelet thromboxane A2 receptors and inhibition of U46619-induced rat aortic ring contraction. Influence of substitution patterns, chain length and presence of heteroatoms were studied and compounds within a 30 nmol range for inhibition of U46619-induced contractions were found. One of the most potent, 2-[(4-chloro-benzenesulfonylamino-ethyl)thio] thiazole-4-acetic acid (VII-4) was orally active (1 mg/kg), as evidenced by the inhibition of U46619-induced platelet aggregation in guinea pigs, ex vivo.