Tert-butyl 4-[(2,4-difluorophenyl)methoxy]piperidine-1-carboxylate

• 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: Tert-butyl 4-[(2,4-difluorophenyl)methoxy]piperidine-1-carboxylate
• 英文别名: tert-butyl 4-[(2,4-difluorophenyl)methoxy]piperidine-1-carboxylate
• 化学式: C₁₈H₂₁N₂O₂Pol
• 分子量: 327.4
• InChiKey: ZNRBAMXPJZPSNO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Tert-butyl 4-[(2,4-difluorophenyl)methoxy]piperidine-1-carboxylate 、 4-氯甲基苯甲酰氯 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 tert-butyl 2-[(3S)-3-[3-chloro-N-[(2-chlorophenyl)methyl]-4-cyanoanilino]pyrrolidin-1-yl]acetate
  参考文献：
  名称：

  选择性HDAC1 / HDAC2抑制剂（SHI-1：2）优化的并行药物化学方法

  摘要：

  固相和溶液相文库合成的成功应用以及紧密整合到药物化学研究中，导致了MRL-波士顿并行药物化学小组对选择性HDAC1 / HDAC2抑制剂的新型结构系列的有效优化。在小型生化分析中，发现一个来自小型平行文库的起始引物有效且具有选择性。先进的化合物是迭代文库设计的高潮，并具有出色的生化和细胞效能，以及在动物模型中可接受的PK和功效。

  DOI：

  10.1016/j.bmcl.2008.12.083
• 作为产物：
  描述：

  2,4-二氟溴苄 、 N-Boc-4-羟基哌啶 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 3.08h， 以73%的产率得到Tert-butyl 4-[(2,4-difluorophenyl)methoxy]piperidine-1-carboxylate
  参考文献：
  名称：

  WO2007/1975

  摘要：

  公开号：

文献信息

• Spirocyclic compounds
  申请人：Berk C. Scott

  公开号：US20070117824A1

  公开（公告）日：2007-05-24

  The present invention relates to a novel class of substituted spirocyclic compounds. These compounds can inhibit histone deacetylase and are suitable for use in selectively inducing terminal differentiation, and arresting cell growth and/or apoptosis of neoplastic cells, thereby inhibiting proliferation of such cells. Thus, the compounds of the present invention are useful in treating a patient having a tumor characterized by proliferation of neoplastic cells. The compounds of the invention may also be useful in the prevention and treatment of TRX-mediated diseases, such as autoimmune, allergic and inflammatory diseases, and in the prevention and/or treatment of diseases of the central nervous system (CNS), such as neurodegenerative diseases. The present invention further provides pharmaceutical compositions comprising the compounds of the instant invention and safe dosing regimens of these pharmaceutical compositions, which are easy to follow, and which result in a therapeutically effective amount of these compounds in vivo.

  本发明涉及一类新型的取代螺环化合物。这些化合物可以抑制组蛋白去乙酰化酶，并适用于在选择性诱导终末分化、阻止肿瘤细胞生长和/或凋亡的过程中使用，从而抑制这些细胞的增殖。因此，本发明的化合物在治疗具有肿瘤特征的患者方面是有用的，这些肿瘤具有肿瘤细胞的增殖。本发明的化合物还可能在预防和治疗TRX介导的疾病方面有用，例如自身免疫、过敏和炎症性疾病，以及预防和/或治疗中枢神经系统（CNS）疾病，如神经退行性疾病。本发明还提供了包括本发明化合物的药物组合物和这些药物组合物的安全用药方案，这些方案易于遵循，并在体内产生这些化合物的治疗有效量。
• WO2007/2248
  申请人：——

  公开号：——

  公开（公告）日：——
• PIPERIDINE DERIVATIVES USEFUL AS HISTAMINE H3 ANTAGONISTS
  申请人：Schering Corporation

  公开号：EP1902046B1

  公开（公告）日：2009-12-02
• Heteroatom-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists
  申请人：Aslanian G. Robert

  公开号：US20070015807A1

  公开（公告）日：2007-01-18

  Disclosed are novel compounds of the formula or a pharmaceutically acceptable salt thereof, wherein: M 1 and M 3 are CH or N; M 2 is CH, CF or N; Y is —C(═O)—, —C(═S)—, —(CH 2 ) q —, —C(═NOR 7 )— or —SO 1-2 —; Z is a bond or optionally substituted alkylene or alkenylene; R 1 is H, or alkyl, cycloalkyl, aryl, heteroaryl, heterocycloalkyl, all optionally substituted, or a group of the formula: where ring A is a heteroaryl ring; R 2 is optionally substituted alkyl, alkenyl, aryl, heteroaryl, cycloalkyl or heterocycloalkyl; R 3 is H, —C(O)NH 2 , or alkyl, aryl, cycloalkyl, heterocycloalkyl or heteroaryl, all optionally substituted; and the remaining variables are as defined in the specification; compositions and methods of treating allergy-induced airway responses, congestion, obesity, metabolic syndrome, alcoholic fatty liver disease, hepatic steatosis, nonalcoholic steatohepatitis, cirrhosis, hepatacellular carcinoma and cognition deficit disorders using said compounds, alone or in combination with other agents.
• HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS
  申请人：Aslanian Robert G.

  公开号：US20090286830A1

  公开（公告）日：2009-11-19

  Disclosed are novel compounds of the formula or a pharmaceutically acceptable salt thereof, wherein: M 1 and M 3 are CH or N; M 2 is CH, CF or N; Y is —C(═O)—, —C(═S)—, —(CH 2 ) q —, —C(═NOR 7 )— or —SO 1-2 —; Z is a bond or optionally substituted alkylene or alkenylene; R 1 is H, or alkyl, cycloalkyl, aryl, heteroaryl, heterocycloalkyl, all optionally substituted, or a group of the formula: where ring A is a heteroaryl ring; R 2 is optionally substituted alkyl, alkenyl, aryl, heteroaryl, cycloalkyl or heterocycloalkyl; R 3 is H, —C(O)NH 2 , or alkyl, aryl, cycloalkyl, heterocycloalkyl or heteroaryl, all optionally substituted; and the remaining variables are as defined in the specification; compositions and methods of treating allergy-induced airway responses, congestion, obesity, metabolic syndrome, alcoholic fatty liver disease, hepatic steatosis, nonalcoholic steatohepatitis, cirrhosis, hepatacellular carcinoma and cognition deficit disorders using said compounds, alone or in combination with other agents.