2-methyl-5-phenyl-valeric acid ethyl ester | 26395-15-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-methyl-5-phenyl-valeric acid ethyl ester
• 英文别名: 2-Methyl-5-phenyl-valeriansaeure-aethylester；ethyl 2-methyl-5-phenylvalerate；2-Methyl-5-phenyl-pentansaeure-ethylester；ethyl 2-methyl-5-phenylpentanoate
• CAS: 26395-15-3
• 化学式: C₁₄H₂₀O₂
• 分子量: 220.312
• InChiKey: JYMITPUGWUFJDL-UHFFFAOYSA-N

物化性质

• 沸点：
  158 °C(Press: 17 Torr)
• 密度：
  0.978±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methyl-5-phenyl-valeric acid ethyl ester 在 alkali 作用下， 生成 (±)-2-methyl-5-phenylpentanoic acid
  参考文献：
  名称：

  Surgical Versus Non-Surgical Treatment of Calcaneal Fractures in Children: A Long-term Results Comparative Study

  摘要：

  这项研究比较了3-17岁儿童46例跟骨骨折的手术和非手术治疗。患者被分为两组：A组年龄在3-14岁，B组年龄在15-17岁，并根据手术或非手术治疗进行分类。平均随访时间为22.8年。非关节性骨折采用非手术治疗，所有结果都令人满意。A组关节性骨折的结果无论治疗类型如何都是令人满意的。B组关节性骨折经手术治疗的结果满意，而非手术治疗的结果主要是不理想的。非关节性骨折可以采用非手术治疗。未成熟骨骼的儿童的关节性骨折可以采用非手术治疗；相反，具有骨骼成熟的儿童必须接受手术治疗。

  DOI：

  10.1177/107110070002101006
• 作为产物：
  描述：

  (±)-2-methyl-5-phenylpentanoic acid 生成 2-methyl-5-phenyl-valeric acid ethyl ester
  参考文献：
  名称：

  Surgical Versus Non-Surgical Treatment of Calcaneal Fractures in Children: A Long-term Results Comparative Study

  摘要：

  这项研究比较了3-17岁儿童46例跟骨骨折的手术和非手术治疗。患者被分为两组：A组年龄在3-14岁，B组年龄在15-17岁，并根据手术或非手术治疗进行分类。平均随访时间为22.8年。非关节性骨折采用非手术治疗，所有结果都令人满意。A组关节性骨折的结果无论治疗类型如何都是令人满意的。B组关节性骨折经手术治疗的结果满意，而非手术治疗的结果主要是不理想的。非关节性骨折可以采用非手术治疗。未成熟骨骼的儿童的关节性骨折可以采用非手术治疗；相反，具有骨骼成熟的儿童必须接受手术治疗。

  DOI：

  10.1177/107110070002101006

文献信息

• Amidocarboxylic acid derivatives
  申请人：Sankyo Company, Limited

  公开号：US06528525B1

  公开（公告）日：2003-03-04

  Amidocarboxylic acid derivatives of the formula: wherein R1 represents a hydrogen atom, etc.; R2 represents an alkylene group; R3 represents a hydrogen atom, etc.; R4 represents a hydrogen atom, etc.; X represents a substituted or unsubstituted aryl group, etc.,; Y represents an oxygen atom, etc.; Z represents an alkylene group, etc.; and W represents an alkyl group, etc.; and pharmacologically acceptable salts thereof and pharmacologically acceptable esters thereof are useful as the active ingredient of pharmaceutical compositions. They may be used to treat specified diseases, including diabetes mellitus, hyperlipemia, arteriosclerosis, hypertension, etc.

  公式为：其中R1代表氢原子，等等；R2代表烷基团；R3代表氢原子，等等；R4代表氢原子，等等；X代表取代或未取代的芳基团，等等；Y代表氧原子，等等；Z代表烷基团，等等；W代表烷基团，等等；以及其药理学上可接受的盐和药理学上可接受的酯作为药物组合物的活性成分是有用的。它们可用于治疗特定疾病，包括糖尿病、高脂血症、动脉硬化、高血压等。
• Amidocarboxylic acid compounds
  申请人：SANKYO COMPANY, LTD

  公开号：US20040006141A1

  公开（公告）日：2004-01-08

  Amidocarboxylic acid compounds of the formula: 1 wherein R 1 represents hydrogen or alkyl; R 2 represents alkylene; R 3 represents hydrogen, alkyl, alkoxy, alkylthio, halogen, nitro, dialkylamino, aryl, aralkyl, hydroxyl or acyl; R 4 represents hydrogen or alkyl; X represents an aryl or hetero aryl; Y represents a single bond, oxygen, sulfur or N—R 5 , wherein R 5 is hydrogen, alkyl, aliphatic acyl or aromatic acyl; Z represents alkylene; and W represents alkyl, hydroxyl, alkoxy, alkylthio, aryl, aryloxy, arylthio, aralkyl, aralkyloxy, aralkylthio, aryloxyalkyl, hetero aryl, hetero aryloxy, hetero alkylthio, heterocyclic, amino, alkylamino, N-alkyl-N-arylamino, arylamino, aralkylamino or aralkyloxycarbonylamino. The compounds are used to treat diabetes mellitus, hyperlipemia, arteriosclerosis, obesity, impaired glucose tolerance, insulin-resistant non-IGT, fatty liver, diabetic complications, gestational diabetes mellitus, polycystic ovary syndrome, atherosclerosis, arthrosteitis, rheumatic arthritis, allergic diseases, asthma, cancer, autoimmune diseases, pancreatitis and cataracts.

  公式为1的羧酸类化合物：其中R1代表氢或烷基；R2代表亚烷基；R3代表氢、烷基、烷氧基、烷硫基、卤素、硝基、二烷基氨基、芳基、芳基烷基、羟基或酰基；R4代表氢或烷基；X代表芳基或杂芳基；Y代表单键、氧、硫或N-R5，其中R5为氢、烷基、脂肪族酰基或芳香族酰基；Z代表亚烷基；W代表烷基、羟基、烷氧基、烷硫基、芳基、芳氧基、芳硫基、芳基烷基、芳基烷氧基、芳基烷硫基、芳氧基烷基、杂芳基、杂芳氧基、杂烷硫基、杂环、氨基、烷基氨基、N-烷基-N-芳基氨基、芳基氨基、芳基烷基氨基或芳基烷氧羰基氨基。这些化合物用于治疗糖尿病、高脂血症、动脉硬化、肥胖症、糖耐量受损、胰岛素抵抗非IGT、脂肪肝、糖尿病并发症、妊娠期糖尿病、多囊卵巢综合症、动脉粥样硬化、关节炎、类风湿性关节炎、过敏性疾病、哮喘、癌症、自身免疫性疾病、胰腺炎和白内障。
• DIFLUOROLACTAM COMPOSITIONS FOR EP4-MEDIATED OSTEO RELATED DISEASES AND CONDITIONS
  申请人：Cayman Chemical Company, Inc.

  公开号：US20150174099A1

  公开（公告）日：2015-06-25

  Disclosed herein are compositions and methods of treating osteoporosis, bone fracture, bone loss, and increasing bone density by administration of compounds of formula (I) or compositions comprising a compound of formula (I) and a pharmaceutically acceptable carrier, wherein L 1 , L 2 , L 4 , R 1 , R 4 , R 5 , R 6 , and s are as defined in the specification.

  本文披露了使用式(I)化合物或包含式(I)化合物和药物可接受载体的组合物治疗骨质疏松症、骨折、骨质流失和增加骨密度的方法和组合物。其中，L1、L2、L4、R1、R4、R5、R6和s如规范中所定义。
• DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS
  申请人：Cayman Chemical Company, Inc.

  公开号：US20150175538A1

  公开（公告）日：2015-06-25

  Disclosed herein are compounds of formula (I) and therapeutic methods of treatment with compounds of formula (I), wherein L 1 , L 2 , L 4 , R 1 , R 4 , R 5 , R 6 , and s are as defined in the specification. Compounds of formula (I) are EP4 agonists useful in the treatment of glaucoma, neuropathic pain, and related disorders.

  本文公开了式(I)的化合物及使用该化合物的治疗方法，其中L1、L2、L4、R1、R4、R5、R6和s的定义如规范中所述。式(I)的化合物是EP4激动剂，可用于治疗青光眼、神经病性疼痛和相关疾病。
• LACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS
  申请人：CAYMAN CHEMICAL COMPANY, INC.

  公开号：US20160031811A1

  公开（公告）日：2016-02-04

  Disclosed herein are compounds of formula (I) wherein L 1 , L 2 , L 3 , R 1 , R 4 , R 5 , and R 6 are as defined in the specification. Compounds of formula (I) are EP 4 agonists useful in the treatment of glaucoma, osteoporosis, bone fracture, periodontal bone loss, orthopedic implant, alopecia, neuropathic pain, and related disorders. Pharmaceutical compositions and methods of treating conditions or disorders are also described.

  本文披露了I式化合物，其中L1、L2、L3、R1、R4、R5和R6如规范中所定义。I式化合物是EP4受体激动剂，可用于治疗青光眼、骨质疏松症、骨折、牙周骨质丢失、骨科植入物、脱发、神经病性疼痛和相关疾病。还描述了制药组合物和治疗条件或疾病的方法。