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

中文名称
——
中文别名
——
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
4-[3-(cyclopentyloxy)-4-methoxyphenyl]piperidine-4-carbonitrile hydrochloride化学式
CAS
——
化学式
C18H24N2O2*ClH
mdl
——
分子量
336.862
InChiKey
UHUSDCFSWQSMSV-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

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

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文献信息

  • 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、帕森病、痴呆症、缺血再灌注损伤、白血病等疾病具有用处。
  • Highly potent PDE4 inhibitors with therapeutic potential
    作者:Hiroshi Ochiai、Tazumi Ohtani、Akiharu Ishida、Kensuke Kusumi、Masashi Kato、Hiroshi Kohno、Yoshihiko Odagaki、Katuya Kishikawa、Susumu Yamamoto、Hiroshi Takeda、Takaaki Obata、Hisao Nakai、Masaaki Toda
    DOI:10.1016/j.bmc.2004.06.032
    日期:2004.9
    The hypothesis that the dose-limiting side effects of PDE4 inhibitors could be mediated via the central nervous system prompted us to design and synthesize a hydrophilic piperidine analog to improve the side effect profile of Ariflo(TM) 1, which is an orally active second-generation PDE4 inhibitor. During evaluation of various water-soluble piperidine analogs, 2a-b, 11b-14b, and 17a showed therapeutic potential in cross-species comparison studies. The following three findings were obtained: (1) The hydroxamic acid group, a well known metal chelator, caused a marked increase of inhibitory activity. (2) Water-soluble piperidine analogs lacked the configurational isomerism of Ariflo 1 without loss of inhibitory activity. (3) Replacement of the 4-methoxy residue with a difluoromethoxy residue led to an increase of in vivo potency. Structure-activity relationships are presented. Single-dose rat pharmacokinetic data for 11b, 12b, and 17a are also presented. (C) 2004 Elsevier Ltd. All rights reserved.
  • 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
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同类化合物

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