tert-butyl 4-(1-phenylethoxy)piperidine-1-carboxylate | 1311186-21-6

• 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-(1-phenylethoxy)piperidine-1-carboxylate
• CAS: 1311186-21-6
• 化学式: C₁₈H₂₇NO₃
• 分子量: 305.417
• InChiKey: CLLMMEDOVGWVIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(1-phenylethoxy)piperidine-1-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 生成 4-(1-phenylethoxy)piperidine
  参考文献：
  名称：

  Identification of a Potent, State-Dependent Inhibitor of Nav1.7 with Oral Efficacy in the Formalin Model of Persistent Pain

  摘要：

  Clinical human genetic studies have recently identified the tetrodotoxin (TTX) sensitive neuronal voltage gated sodium channel Nav1.7 (SCN9A) as a critical mediator of pain sensitization. Herein, we report structure-activity relationships for a novel series of 2,4-diaminotriazines that inhibit hNav1.7. Optimization efforts culminated in compound 52, which demonstrated pharmacokinetic properties appropriate for in vivo testing in rats. The binding site, of compound 52 on Nav1.7 was determined to be distinct from that of local anesthetics. Compound 52 inhibited tetrodotoxin-sensitive sodium channels recorded from rat sensory neurons and exhibited modest selectivity against the hERG potassium channel and against cloned and native tetrodotoxin-resistant sodium channels. Upon oral administration to rats, compound 52 produced dose- and exposure-dependent efficacy in the formalin model of pain.

  DOI：

  10.1021/jm200018k
• 作为产物：
  描述：

  (1-溴乙基)苯 、 N-Boc-4-羟基哌啶 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 17.0h， 以20%的产率得到tert-butyl 4-(1-phenylethoxy)piperidine-1-carboxylate
  参考文献：
  名称：

  [EN] MUSCARINIC AGONISTS
  [FR] AGONISTES MUSCARINIQUES

  摘要：

  这项发明涉及激动肌肉胆碱受体和/或M4受体的化合物，这些化合物在治疗肌肉胆碱M1/M4受体介导的疾病中有用。还提供了含有这些化合物的药物组合物以及这些化合物的治疗用途。化合物包括根据式（1a）或其盐的化合物，其中p、q、r、s、Q、R3和R4如本文所定义。

  公开号：

  WO2017021730A1

文献信息

• MUSCARINIC AGONISTS
  申请人：Heptares Therapeutics Limited

  公开号：EP3822262A1

  公开（公告）日：2021-05-19

  This invention relates to compounds that are agonists of the muscarinic M1 receptor and/or M4 receptor and which are useful in the treatment of muscarinic M1/M4 receptor mediated diseases. Also provided are pharmaceutical compositions containing the compounds and the therapeutic uses of the compounds. Compounds include those according to formula (1a): or a salt thereof, wherein p, q, r, s, Q, R3 and R4 are as defined herein.

  本发明涉及的化合物是毒蕈碱 M1 受体和/或 M4 受体的激动剂，可用于治疗毒蕈碱 M1/M4 受体介导的疾病。本发明还提供了含有这些化合物的药物组合物以及这些化合物的治疗用途。化合物包括根据式（1a）的化合物： 或其盐，其中 p、q、r、s、Q、R3 和 R4 如本文所定义。
• Muscarinic agonists
  申请人：Heptares Therapeutics Limited

  公开号：US10167272B2

  公开（公告）日：2019-01-01

  This invention relates to compounds that are agonists of the muscarinic M1 receptor and/or M4 receptor and which are useful in the treatment of muscarinic M1/M4 receptor mediated diseases. Also provided are pharmaceutical compositions containing the compounds and the therapeutic uses of the compounds. Compounds include those according to formula (1a) or a salt thereof, wherein p, q, r, s, Q, R3 and R4 are as defined herein.

  本发明涉及的化合物是毒蕈碱 M1 受体和/或 M4 受体的激动剂，可用于治疗毒蕈碱 M1/M4 受体介导的疾病。本发明还提供了含有这些化合物的药物组合物以及这些化合物的治疗用途。化合物包括符合式（1a）的化合物 或其盐，其中 p、q、r、s、Q、R3 和 R4 如本文所定义。
• EP3331869B1
  申请人：——

  公开号：EP3331869B1

  公开（公告）日：2020-12-23
• Muscarinic Agonists
  申请人：Heptares Therapeutics Limited

  公开号：US20170037025A1

  公开（公告）日：2017-02-09

  This invention relates to compounds that are agonists of the muscarinic M 1 receptor and/or M 4 receptor and which are useful in the treatment of muscarinic M 1 /M 4 receptor mediated diseases. Also provided are pharmaceutical compositions containing the compounds and the therapeutic uses of the compounds. Compounds include those according to formula (1a) or a salt thereof, wherein p, q, r, s, Q, R 3 and R 4 are as defined herein.
• US9758506B2
  申请人：——

  公开号：US9758506B2

  公开（公告）日：2017-09-12