1-(环丁基羰基)-4-哌啶羧酸 | 700815-60-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 1-(环丁基羰基)-4-哌啶羧酸
• 英文名称: 1-Cyclobutanecarbonyl-piperidine-4-carboxylic acid
• 英文别名: 1-(Cyclobutylcarbonyl)piperidine-4-carboxylic acid；1-(cyclobutanecarbonyl)piperidine-4-carboxylic acid
• CAS: 700815-60-7
• 化学式: C₁₁H₁₇NO₃
• mdl: MFCD02679040
• 分子量: 211.261
• InChiKey: AAZDBTUTEIYUAL-UHFFFAOYSA-N

物化性质

• 沸点：
  422.9±38.0 °C(Predicted)
• 密度：
  1.257±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.818
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  1-(环丁基羰基)-4-哌啶羧酸 、 (3S)-tert-butyl 3-amino-4-hydroxy-5-(2,3,5,6-tetrafluorophenoxy)pentanoate 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N-甲基吗啉 作用下， 以 二氯甲烷 为溶剂， 反应 60.25h， 生成 tert-butyl (3S)-3-[[1-(cyclobutanecarbonyl)piperidine-4-carbonyl]amino]-4-hydroxy-5-(2,3,5,6-tetrafluorophenoxy)pentanoate
  参考文献：
  名称：

  一系列含有γ-氨基酸部分的胱天蛋白酶抑制剂治疗胆汁淤积性肝病的构效关系研究

  摘要：

  已经合成了一系列含有γ-氨基酸部分的胱天蛋白酶抑制剂。对其抗凋亡细胞活性的构效关系进行了系统的研究。这些努力导致了化合物20o作为有效的半胱天冬酶抑制剂的发现，证明了临床前改善总胆红素功效并显着改善了药代动力学。

  DOI：

  10.1016/j.bmcl.2018.04.002

文献信息

• PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS
  申请人：Jablonski Philippe

  公开号：US20090306043A1

  公开（公告）日：2009-12-10

  The present invention relates to compounds of formula I wherein R 1 , R 2 , R 3 , R′, Ar, m, n, and o are as defined herein. The invention also relates to pharmaceutical compositions containing compounds of formula I and methods for the manufacture of such compounds and compositions. Compounds of the invention are high potential NK-3 receptor antagonists for the treatment of depression, pain, psychosis, Parkinson's disease, schizophrenia, anxiety and attention deficit hyperactivity disorder (ADHD).

  本发明涉及式I的化合物，其中R1、R2、R3、R′、Ar、m、n和o如本文所定义。该发明还涉及含有式I化合物的药物组合物，以及制备这种化合物和组合物的方法。本发明的化合物是用于治疗抑郁症、疼痛、精神病、帕金森病、精神分裂症、焦虑和注意力缺陷多动障碍（ADHD）的高潜力NK-3受体拮抗剂。
• Identification of non-peptidic cysteine reactive fragments as inhibitors of cysteine protease rhodesain
  作者：Danielle McShan、Stefan Kathman、Brittiney Lowe、Ziyang Xu、Jennifer Zhan、Alexander Statsyuk、Ifedayo Victor Ogungbe

  DOI：10.1016/j.bmcl.2015.08.074

  日期：2015.10

  Rhodesain, the major cathepsin L-like cysteine protease in the protozoan Trypanosoma brucei rhodesiense, the causative agent of African sleeping sickness, is a well-validated drug target. In this work, we used a fragment-based approach to identify inhibitors of this cysteine protease, and identified inhibitors of T. brucei. To discover inhibitors active against rhodesain and T. brucei, we screened a library of covalent fragments against rhodesain and conducted preliminary SAR studies. We envision that in vitro enzymatic assays will further expand the use of the covalent tethering method, a simple fragment-based drug discovery technique to discover covalent drug leads. (C) 2015 Elsevier Ltd. All rights reserved.
• US8063075B2
  申请人：——

  公开号：US8063075B2

  公开（公告）日：2011-11-22
• [EN] PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS D'ÉTHER DE PYRROLIDINE COMME ANTAGONISTES DES RÉCEPTEURS NK3
  申请人：HOFFMANN LA ROCHE

  公开号：WO2009150110A1

  公开（公告）日：2009-12-17

  The present invention relates to a compounds of formula I wherein R1, R2, R3, R', Ar, o, n and m are as defined in the specification. It has been found that the present compounds are high potential NK-3 receptor antagonists for the treatment of depression, pain, psychosis, Parkinson's disease, schizophrenia, anxiety and attention deficit hyperactivity disorder (ADHD).
• Structure-activity relationship study of a series of caspase inhibitors containing γ-amino acid moiety for treatment of cholestatic liver disease
  作者：Jianfeng Mou、Songliang Wu、Zhi Luo、Fengying Guo、Haiying He、Jianhua Wang、Fusen Lin、Fengxun Guo、Jianping Sun、Liang Shen、Minggao Zeng、Chuan Wang、Deming Xu、Zhengxian Gu、Xin Tian、Aiming Zhang、Hongjiang Xu、Ling Yang、Xiquan Zhang、Jian Li、Shuhui Chen

  DOI：10.1016/j.bmcl.2018.04.002

  日期：2018.6

  A series of caspase inhibitors containing γ-amino acid moiety have been synthesized. A systemic study on their structure-activity relationship of anti-apoptotic cellular activity is presented. These efforts led to the discovery of compound 20o as a potent caspase inhibitor, which demonstrated preclinical ameliorating total bilirubin efficacy with a significantly improved pharmacokinetic profile.

  已经合成了一系列含有γ-氨基酸部分的胱天蛋白酶抑制剂。对其抗凋亡细胞活性的构效关系进行了系统的研究。这些努力导致了化合物20o作为有效的半胱天冬酶抑制剂的发现，证明了临床前改善总胆红素功效并显着改善了药代动力学。