1-Butyl-cyclopentanecarboxylic acid methyl ester | 62410-34-8

• 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: 1-Butyl-cyclopentanecarboxylic acid methyl ester
• 英文别名: Methyl 1-butylcyclopentane-1-carboxylate
• CAS: 62410-34-8
• 化学式: C₁₁H₂₀O₂
• 分子量: 184.279
• InChiKey: WBEVGYGEJHUARK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 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：

  1-Butyl-cyclopentanecarboxylic acid methyl ester 在 sodium hydroxide 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 30.0h， 生成 (S)-2-[(1-Butyl-cyclopentanecarbonyl)-amino]-3-[4-(2,6-dichloro-benzoylamino)-phenyl]-propionic acid
  参考文献：
  名称：

  N-Cycloalkanoyl-l-Phenylalanine Derivatives as VCAM/VLA-4 Antagonists

  摘要：

  A systematic structure-activity relationship investigation of the lead compound I resulted the identification of several N-[(substituted alkyl)cycloalkanoyl]-4-[((2,6-dichlorophenyl)carbonyl)amino]-L-phenylalanine derivatives as potent VCAM/VLA-4 antagonists. The data are consistent with a model of these compounds in which these alkanoylphenylalanines reside in a compact gauche (-) bioactive conformation. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00386-4
• 作为产物：
  描述：

  1-碘丁烷 、 环戊烷甲酸甲酯 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 15.0h， 生成 1-Butyl-cyclopentanecarboxylic acid methyl ester
  参考文献：
  名称：

  N-Cycloalkanoyl-l-Phenylalanine Derivatives as VCAM/VLA-4 Antagonists

  摘要：

  A systematic structure-activity relationship investigation of the lead compound I resulted the identification of several N-[(substituted alkyl)cycloalkanoyl]-4-[((2,6-dichlorophenyl)carbonyl)amino]-L-phenylalanine derivatives as potent VCAM/VLA-4 antagonists. The data are consistent with a model of these compounds in which these alkanoylphenylalanines reside in a compact gauche (-) bioactive conformation. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00386-4

文献信息

• A prostaglandin analogue
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP0122019A2

  公开（公告）日：1984-10-17

  A novel prostaglandin analogue of the formula: (wherein the symbol ◄ represents β-configuration, the dotted linie ----- represents a-configuration, and the double bond between (C13-C14 represents transconfiguration) and cyclodextrin clathrates thereof, and non-toxic salts thereof are useful for the treatment and/or prevention of diseases induced by platelet aggregation, such as thrombosis, or induced by cytodamage.

  一种式如下的新型前列腺素类似物： (其中符号◄代表β-构型，点划线----- 代表a-构型，(C13-C14之间的双键代表反式构型）及其环糊精凝块和无毒盐可用于治疗和/或预防由血小板聚集诱发的疾病，如血栓形成，或由细胞损伤诱发的疾病。
• N-Cycloalkanoyl-l-Phenylalanine Derivatives as VCAM/VLA-4 Antagonists
  作者：Achyutharao Sidduri、Jefferson W Tilley、Kenneth Hull、Jian Ping Lou、Gerry Kaplan、Allen Sheffron、Li Chen、Robert Campbell、Robert Guthrie、Tai-Nan Huang、Nicholas Huby、Karen Rowan、Virginia Schwinge、Louis M Renzetti

  DOI：10.1016/s0960-894x(02)00386-4

  日期：2002.9

  A systematic structure-activity relationship investigation of the lead compound I resulted the identification of several N-[(substituted alkyl)cycloalkanoyl]-4-[((2,6-dichlorophenyl)carbonyl)amino]-L-phenylalanine derivatives as potent VCAM/VLA-4 antagonists. The data are consistent with a model of these compounds in which these alkanoylphenylalanines reside in a compact gauche (-) bioactive conformation. (C) 2002 Elsevier Science Ltd. All rights reserved.