2-(4-异丙基苯氧基)-2-甲基丙酸 | 669747-64-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(4-异丙基苯氧基)-2-甲基丙酸
• 英文名称: 2-(4-Isopropyl-phenoxy)-2-methyl-propionic acid
• 英文别名: 2-(4-Isopropylphenoxy)-2-methylpropanoic acid；2-methyl-2-(4-propan-2-ylphenoxy)propanoic acid
• CAS: 669747-64-2
• 化学式: C₁₃H₁₈O₃
• mdl: MFCD03422278
• 分子量: 222.284
• InChiKey: KPJWETIJBZKRPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  N-(3-氨丙基)吗啉 、 BOC-L-苯丙氨酸 、 2-(4-异丙基苯氧基)-2-甲基丙酸 生成 2-(4-Isopropyl-phenoxy)-2-methyl-N-[(S)-1-(3-morpholin-4-yl-propylcarbamoyl)-2-phenyl-ethyl]-propionamide
  参考文献：
  名称：

  Generation of a new class of hNK2 receptor ligands using the ‘fragment approach’

  摘要：

  The so called 'fragment approach' was applied in the search for new leads as selective hNK(2) antagonists. A first round of structural space exploration through the use of bond rigidity as scaffold to support the fragments, afforded 27a as 200 nM hNK(2) ligand. Further refinement gave MEN 14933 as a 16 nM hNK(2) ligand, selective versus hNK(1), of a novel class. Conformational analysis was used to study results and plan future work. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.045

文献信息

• HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS
  申请人：Hadida-Ruah Sara Sabina

  公开号：US20110306607A1

  公开（公告）日：2011-12-15

  The invention relates to heterocyclic chromene-spirocyclic piperidine amides useful as inhibitors of ion channels. The invention also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various disorders.

  本发明涉及杂环色烯-螺环哌啶酰胺类化合物，其可用作离子通道抑制剂。本发明还提供了包含本发明化合物的药学上可接受的组合物，并提供了使用这些组合物治疗各种疾病的方法。
• Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels
  申请人：HADIDA-RUAH Sara Sabina

  公开号：US20140171427A1

  公开（公告）日：2014-06-19

  The invention relates to heterocyclic chromene-spirocyclic piperidine amides useful as inhibitors of ion channels. The invention also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various disorders.

  本发明涉及杂环色烯-螺环哌啶酰胺，其可用作离子通道抑制剂。本发明还提供了包含该发明化合物的药学上可接受的组合物以及使用该组合物治疗各种疾病的方法。
• BENZOXAZINES AS MODULATORS OF ION CHANNELS
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：US20140309220A1

  公开（公告）日：2014-10-16

  The invention relates to benzoxazines useful as inhibitors of ion channels. The invention also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various disorders.

  本发明涉及苯并噁唑，其可用作离子通道的抑制剂。本发明还提供了包含本发明化合物的药学上可接受的组合物，并提供了使用这些组合物治疗各种疾病的方法。
• AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM
  申请人：BURNETT A. DUANE

  公开号：US20080070889A1

  公开（公告）日：2008-03-20

  Disclosed are compounds of the formula wherein Z 1 is —CH 2 — or —C(O)—, R 4 and R 5 are carbon chains (and optionally, together can form a C 2 bridge), u and v are independently an integer of 0-3 such that there sum is from 3 to 5, and R 2 is heteroaryl, and R 1 and R 3 are as defined herein. Also disclosed are methods of treating pain, and methods of inhibiting the absorption of cholesterol using a compound of formula I.
• Spirocyclic Azetidinone Compounds and Methods of Use Thereof
  申请人：Burnett Duane A.

  公开号：US20080070890A1

  公开（公告）日：2008-03-20

  The present invention relates to Spirocyclic Azetidinone Compounds, compositions comprising a Spirocyclic Azetidinone Compound and methods for treating or preventing a disorder of lipid metabolism, pain, diabetes, a vascular condition, demyelination or nonalcoholic fatty liver disease, comprising administering to a patient an effective amount of a Spirocyclic Azetidinone Compound.