4-[3-(cyclopentyloxy)-4-methoxyphenyl]piperidine-4-carbonitrile hydrochloride

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-[3-(cyclopentyloxy)-4-methoxyphenyl]piperidine-4-carbonitrile hydrochloride
• 英文别名: 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-cyanopiperidine hydrochloride；4-(3-Cyclopentyloxy-4-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride
• 化学式: C₁₈H₂₄N₂O₂*ClH
• 分子量: 336.862
• InChiKey: UHUSDCFSWQSMSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.58
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  54.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-[3-(cyclopentyloxy)-4-methoxyphenyl]piperidine-4-carbonitrile hydrochloride 生成 5-[2-(2-羧基乙基)-3-[(E)-6-(4-甲氧基苯基)己-5-烯氧基]苯氧基]戊酸
  参考文献：
  名称：

  Bioorganic & Medicinal Chemistry, 1997, 5, 1649-1674

  摘要：

  DOI：
• 作为产物：
  描述：

  tert-butyl 4-cyano-4-[3-(cyclopentyloxy)-4-methoxyphenyl]piperidine-1-carboxylate 在 三氟乙酸 、 盐酸 作用下， 以 二氯甲烷 、 茴香硫醚 、 乙酸乙酯 为溶剂， 反应 1.5h， 生成 4-[3-(cyclopentyloxy)-4-methoxyphenyl]piperidine-4-carbonitrile hydrochloride
  参考文献：
  名称：

  Piperidine derivatives and drugs containing these derivatives as active ingredient

  摘要：

  Piperidine衍生物由公式(I)代表，或其无毒盐（其中符号在描述中定义）：由于公式(I)代表的化合物具有PDE4抑制活性，因此对于预防和/或治疗炎症性疾病、糖尿病、过敏性疾病、自身免疫疾病、骨质疏松症、骨折、肥胖症、抑郁症、帕金森病、痴呆症、缺血再灌注损伤、白血病等疾病是有用的。

  公开号：

  US20040044036A1

文献信息

• Piperidine derivatives and drugs containing these derivatives as active ingredient
  申请人：——

  公开号：US20040044036A1

  公开（公告）日：2004-03-04

  Piperidine derivatives represented by formula (I) or nontoxic salts thereof (wherein symbols are defined in the description): 1 Since the compound represented by formula (I) has a PDE4 inhibitory activity, it is useful for preventing and/or treating inflammatory diseases, diabetic diseases, allergic diseases, autoimmune diseases, osteoporosis, bone fracture, obesity, depression, Parkinson's disease, dementia, ischemia-reperfusion injury, leukemia and the like.

  Piperidine衍生物由公式(I)代表，或其无毒盐（其中符号在描述中定义）：由于公式(I)代表的化合物具有PDE4抑制活性，因此对于预防和/或治疗炎症性疾病、糖尿病、过敏性疾病、自身免疫疾病、骨质疏松症、骨折、肥胖症、抑郁症、帕金森病、痴呆症、缺血再灌注损伤、白血病等疾病是有用的。
• Piperidine derivatives and agent comprising the derivative as active ingredient
  申请人：Nakai Hisao

  公开号：US20060189656A1

  公开（公告）日：2006-08-24

  Piperidine derivatives represented by formula (I) or nontoxic salts thereof (wherein symbols are defined in the description): Since the compound represented by formula (I) has a PDE4 inhibitory activity, it is useful for preventing and/or treating inflammatory diseases, diabetic diseases, allergic diseases, autoimmune diseases, osteoporosis, bone fracture, obesity, depression, Parkinson's disease, dementia, ischemia-reperfusion injury, leukemia and the like.

  式(I)所代表的吡啶衍生物或其无毒盐（其中符号在描述中定义）：由于式(I)所代表的化合物具有PDE4抑制活性，因此对于预防和/或治疗炎症性疾病、糖尿病、过敏性疾病、自身免疫性疾病、骨质疏松症、骨折、肥胖症、抑郁症、帕金森病、痴呆症、缺血再灌注损伤、白血病等疾病具有用处。
• Design, synthesis, and biological evaluation of new phosphodiesterase type 4 inhibitors
  作者：Hiroshi Ochiai、Yoshihiko Odagaki、Tazumi Ohtani、Akiharu Ishida、Kensuke Kusumi、Katuya Kishikawa、Susumu Yamamoto、Hiroshi Takeda、Takaaki Obata、Kaoru Kobayashi、Hisao Nakai、Masaaki Toda

  DOI：10.1016/j.bmc.2004.07.040

  日期：2004.10

  The design, synthesis, and biological evaluation of new phosphodiesterase type 4 inhibitors, which possess new templates instead of a cyclohexane ring, are described. The mode of interaction with the enzyme is discussed based on the structure-activity relationship (SAR) data obtained for the synthesized inhibitors. Furthermore, the roles of three pharmacophores, a catechol moiety, a nitrile moiety, and acidic moieties, are discussed using in silico docking studies. More detailed biological evaluations of selected compounds are also presented. (C) 2004 Elsevier Ltd. All rights reserved.
• PIPERIDINE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1308440B1

  公开（公告）日：2009-05-06
• US7109342B2
  申请人：——

  公开号：US7109342B2

  公开（公告）日：2006-09-19