3-(2-isopropoxy-phenyl)-propionic acid isopropyl ester | 374893-17-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(2-isopropoxy-phenyl)-propionic acid isopropyl ester
• 英文别名: isopropyl 3-(2-isopropoxyphenyl) propanoate；Propan-2-yl 3-{2-[(propan-2-yl)oxy]phenyl}propanoate；propan-2-yl 3-(2-propan-2-yloxyphenyl)propanoate
• CAS: 374893-17-1
• 化学式: C₁₅H₂₂O₃
• 分子量: 250.338
• InChiKey: VBMIKQXDVCQWQK-UHFFFAOYSA-N

物化性质

• 沸点：
  320.6±17.0 °C(Predicted)
• 密度：
  1.003±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(2-isopropoxy-phenyl)-propionic acid isopropyl ester 在 lithium aluminium tetrahydride 、 氨 、 三乙酰氧基硼氢化钠 作用下， 以 四氢呋喃 、 甲醇 、 1,2-二氯乙烷 为溶剂， 反应 26.0h， 生成 (3-{[3-(2-Isopropoxy-phenyl)-propylamino]-methyl}-phenyl)-piperidin-1-yl-methanone
  参考文献：
  名称：

  Inhibitors of the glycine transporter type-2 (GlyT-2): synthesis and biological activity of benzoylpiperidine derivatives

  摘要：

  A series of benzoylpiperidine analogs related to 4a was prepared, and their ability to inhibit the uptake of [C-14]-glycine in COS7 cells transfected with human glycine transporter type-2 (GlyT-2) was evaluated. Small structural changes to the benzoylpiperidine region of the molecule led to a significant decrease in GlyT-2 inhibitory activity. In contrast, the distal aryl ring was more tolerant to functional group modifications and could accommodate a variety of substitutes at the C-2 or C-3 positions. Comparable activities to 4a were obtained by replacing the anilino nitrogen with an ether linkage 27 or by exchanging the isopropoxy ether moiety with an isopropyl amino group 15. A distinct preference for a 2-carbon tether (n = 1) was observed relative to the corresponding 3-carbon homolog (n = 2). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.05.044
• 作为产物：
  描述：

  2-碘代丙烷 、 3-(2-羟基苯基)丙酸 在 potassium carbonate 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 15.0h， 以36%的产率得到3-(2-isopropoxy-phenyl)-propionic acid isopropyl ester
  参考文献：
  名称：

  Aryl piperidine amides

  摘要：

  该发明提供了新颖的GlyT2抑制化合物，可用于调节、治疗或预防：焦虑症；需要治疗受伤哺乳动物神经组织的状况；适合通过神经营养因子管理治疗的状况；神经系统紊乱；或肥胖症；与肥胖相关的疾病。

  公开号：

  US20050049239A1

文献信息

• Aryl piperidine amides
  申请人：Huang Q. Charles

  公开号：US20050049239A1

  公开（公告）日：2005-03-03

  The invention provides novel GlyT2 inhibiting compounds useful in modulating, treating, or preventing: anxiolytic disorders; a condition requiring treatment of injured mammalian nerve tissue; a condition amenable to treatment through administration of a neurotrophic factor; a neurological disorder; or obesity; an obesity-related disorder.

  该发明提供了新颖的GlyT2抑制化合物，可用于调节、治疗或预防：焦虑症；需要治疗受伤哺乳动物神经组织的状况；适合通过神经营养因子管理治疗的状况；神经系统紊乱；或肥胖症；与肥胖相关的疾病。
• Novel benzophenone derivatives or salts thereof
  申请人：Chaki Hisaaki

  公开号：US20050113400A1

  公开（公告）日：2005-05-26

  A benzophenone derivative represented by the following formula: wherein R 1 represents, for example, an optionally substituted heterocyclic group, or a substituted phenyl group; Z represents, for example, an alkylene group; R 2 represents, for example, a carboxyl group optionally protected with alkyl; R 3 represents, for example, an optionally protected hydroxyl group; R 4 represents, for example, an optionally substituted cycloalkyloxy group; and R 5 represents, for example, a hydrogen atom, or a salt thereof has anti-arthritic activity, inhibits bone destruction caused by arthritis, and provides high safety and excellent pharmacokinetics and thus is useful as therapeutic agent for arthritis. These compounds have inhibitory effect on AP-1 activity and are useful as preventive or therapeutic agent for diseases in which excessive expression of AP-1 is involved.

  以下是一种苯甲酮衍生物的化学式： 其中，R1代表例如可选取代的杂环基团或取代的苯基团；Z代表例如烷基链；R2代表例如可用烷基保护的羧基；R3代表例如可选保护的羟基；R4代表例如可选取代的环烷氧基团；R5代表例如氢原子或其盐。该化合物具有抗关节炎活性，能抑制由关节炎引起的骨破坏，并提供高安全性和优异的药代动力学，因此可用作治疗关节炎的药物。这些化合物具有抑制AP-1活性的作用，可用作预防或治疗与过度表达AP-1有关的疾病的药物。
• Aryl Piperidine Amides
  申请人：Huang Q. Charles

  公开号：US20080009521A1

  公开（公告）日：2008-01-10

  The invention provides novel GlyT2 inhibiting compounds useful in modulating, treating, or preventing: anxiolytic disorders; a condition requiring treatment of injured mammalian nerve tissue; a condition amenable to treatment through administration of a neurotrophic factor; a neurological disorder; or obesity; an obesity-related disorder.

  本发明提供了新型GlyT2抑制化合物，可用于调节、治疗或预防：抗焦虑障碍；需要治疗受损哺乳动物神经组织的状况；可通过给予神经营养因子进行治疗的状况；神经系统疾病；或肥胖症；肥胖相关疾病。
• NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF
  申请人：TOYAMA CHEMICAL CO., LTD.

  公开号：EP1445249B1

  公开（公告）日：2012-11-07
• ARYL PIPERIDINE AMIDES
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP1660472A1

  公开（公告）日：2006-05-31