tert-butyl 3-(isobutylcarbamoyl)piperidine-1-carboxylate | 937725-01-4

• 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 3-(isobutylcarbamoyl)piperidine-1-carboxylate
• 英文别名: Tert-butyl 3-(2-methylpropylcarbamoyl)piperidine-1-carboxylate
• CAS: 937725-01-4
• 化学式: C₁₅H₂₈N₂O₃
• 分子量: 284.399
• InChiKey: CBWPFOCOSJQLHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 3-(isobutylcarbamoyl)piperidine-1-carboxylate 在 盐酸 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成 N1-(2,3-di(furan-2-yl)quinoxalin-6-yl)-N3-isobutylpiperidine-1,3-dicarboxamide
  参考文献：
  名称：

  Quinoxalinylurea derivatives as a novel class of JSP-1 inhibitors

  摘要：

  A series of quinoxalinylurea-based inhibitors are synthesized and shown to be the novel and potent inhibitors against Jnk Stimulatory Phosphatase-1 (JSP-1), which is a special member of dual-specificity protein phosphatase (DSP) family. Biological assay and computational modeling studies showed the compounds were reversible and noncompetitive inhibitors of JSP-1. JSP-1 inhibitors may be useful for the treatment of inflammatory, vascular, neurodegenerative, metabolic, and oncological diseases in humans associated with dysfunctional Jnk signaling. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.094
• 作为产物：
  描述：

  3-哌啶甲酸 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 作用下， 以 二氯甲烷 为溶剂， 生成 tert-butyl 3-(isobutylcarbamoyl)piperidine-1-carboxylate
  参考文献：
  名称：

  Quinoxalinylurea derivatives as a novel class of JSP-1 inhibitors

  摘要：

  A series of quinoxalinylurea-based inhibitors are synthesized and shown to be the novel and potent inhibitors against Jnk Stimulatory Phosphatase-1 (JSP-1), which is a special member of dual-specificity protein phosphatase (DSP) family. Biological assay and computational modeling studies showed the compounds were reversible and noncompetitive inhibitors of JSP-1. JSP-1 inhibitors may be useful for the treatment of inflammatory, vascular, neurodegenerative, metabolic, and oncological diseases in humans associated with dysfunctional Jnk signaling. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.094

文献信息

• [EN] ESTER SUBSTITUTED ION CHANNEL BLOCKERS AND METHODS FOR USE<br/>[FR] BLOQUEURS DE CANAUX IONIQUES SUBSTITUÉS PAR UN ESTER ET MÉTHODES D'UTILISATION
  申请人：NOCION THERAPEUTICS INC

  公开号：WO2020185915A1

  公开（公告）日：2020-09-17

  The invention provides compounds of Formula (I), or pharmaceutically acceptable salts thereof. The compounds, compositions, methods and kits of the invention are useful for the treatment of pain, itch, and neurogenic inflammation.

  本发明提供了式（I）的化合物，或其药学上可接受的盐。该发明的化合物、组合物、方法和试剂盒对于治疗疼痛、瘙痒和神经源性炎症是有用的。
• Ester substituted ion channel blockers and methods for use
  申请人：Nocion Therapeutics, Inc.

  公开号：US10927096B2

  公开（公告）日：2021-02-23

  The invention provides compounds of Formula (I), or pharmaceutically acceptable salts thereof: The compounds, compositions, methods and kits of the invention are useful for the treatment of pain, itch, and neurogenic inflammation.

  本发明提供了式（I）化合物或其药学上可接受的盐类： 本发明的化合物、组合物、方法和试剂盒可用于治疗疼痛、瘙痒和神经源性炎症。
• ESTER SUBSTITUTED ION CHANNEL BLOCKERS AND METHODS FOR USE
  申请人：Nocion Therapeutics, Inc.

  公开号：EP3937934A1

  公开（公告）日：2022-01-19
• PEROXIREDOXIN 3 INHIBITORS AND METHODS OF USE FOR TREATING CANCER
  申请人：[en]WAKE FOREST UNIVERSITY HEALTH SCIENCES

  公开号：WO2024044744A2

  公开（公告）日：2024-02-29

  Provided according to some embodiments is a compound of Formula (I), or a pharmaceutically acceptable salt or prodrug thereof. Pharmaceutical compositions comprising the same and methods of use for treating cancer and inhibiting PRX3 are also provided.
• Quinoxalinylurea derivatives as a novel class of JSP-1 inhibitors
  作者：Li Zhang、Beiying Qiu、Bing Xiong、Xin Li、Jingya Li、Xin Wang、Jia Li、Jingkang Shen

  DOI：10.1016/j.bmcl.2007.01.094

  日期：2007.4

  A series of quinoxalinylurea-based inhibitors are synthesized and shown to be the novel and potent inhibitors against Jnk Stimulatory Phosphatase-1 (JSP-1), which is a special member of dual-specificity protein phosphatase (DSP) family. Biological assay and computational modeling studies showed the compounds were reversible and noncompetitive inhibitors of JSP-1. JSP-1 inhibitors may be useful for the treatment of inflammatory, vascular, neurodegenerative, metabolic, and oncological diseases in humans associated with dysfunctional Jnk signaling. (c) 2007 Elsevier Ltd. All rights reserved.