[1-(2-cyano-phenyl)-piperidin-4-yl]-carbamic acid tert-butyl ester | 1028339-22-1

• 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: [1-(2-cyano-phenyl)-piperidin-4-yl]-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[1-(2-cyanophenyl)piperidin-4-yl]carbamate
• CAS: 1028339-22-1
• 化学式: C₁₇H₂₃N₃O₂
• mdl: MFCD11041563
• 分子量: 301.389
• InChiKey: JOXBFECFLFQGHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.529
• 拓扑面积：
  65.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [1-(2-cyano-phenyl)-piperidin-4-yl]-carbamic acid tert-butyl ester 在 双氧水 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Exploration of piperidine-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-Phenyl derivatives with broad potency against resistant mutant viruses

  摘要：

  Further investigation of the recently reported piperidine-4-yl-aminopyrimidine class of non-nucleoside reverse transcriptase inhibitors (NNRTIs) has been carried out. Thus, preparation of a series of N-phenyl piperidine analogs resulted in the identification of 3-carboxamides as a particularly active series. Analogs such as 28 and 40 are very potent versus wild-type HIV-1 and a broad range of NNRTI-resistant mutant viruses. Synthesis, structure-activity relationship (SAR), clearance data, and crystallographic evidence for the binding motif are discussed. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.068
• 作为产物：
  描述：

  4-叔丁氧羰基氨基哌啶 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 生成 [1-(2-cyano-phenyl)-piperidin-4-yl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Exploration of piperidine-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-Phenyl derivatives with broad potency against resistant mutant viruses

  摘要：

  Further investigation of the recently reported piperidine-4-yl-aminopyrimidine class of non-nucleoside reverse transcriptase inhibitors (NNRTIs) has been carried out. Thus, preparation of a series of N-phenyl piperidine analogs resulted in the identification of 3-carboxamides as a particularly active series. Analogs such as 28 and 40 are very potent versus wild-type HIV-1 and a broad range of NNRTI-resistant mutant viruses. Synthesis, structure-activity relationship (SAR), clearance data, and crystallographic evidence for the binding motif are discussed. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.068

文献信息

• PHTHALAZINE DERIVATIVES
  申请人：Araldi Gian-Luca

  公开号：US20080146547A1

  公开（公告）日：2008-06-19

  The present invention relates to novel phthalazine derivatives and, more particularly, to phthalazine derivatives that are useful as protein kinase inhibitors. The invention also relates to methods of preparing the compounds, compositions containing the compounds, and methods of treatment using the compounds.

  本发明涉及新的邻苯二酸嗪衍生物，更具体地，涉及可用作蛋白激酶抑制剂的邻苯二酸嗪衍生物。本发明还涉及制备这些化合物的方法，含有这些化合物的组合物，以及使用这些化合物的治疗方法。
• WO2008/61108
  申请人：——

  公开号：——

  公开（公告）日：——
• US8044041B2
  申请人：——

  公开号：US8044041B2

  公开（公告）日：2011-10-25
• US8349836B2
  申请人：——

  公开号：US8349836B2

  公开（公告）日：2013-01-08
• [EN] PHTHALAZINE DERIVATIVES<br/>[FR] DÉRIVÉS DE PHTALAZINE
  申请人：FOREST LAB HOLDINGS LTD

  公开号：WO2008061108A2

  公开（公告）日：2008-05-22

  [EN] The present invention relates to novel phthalazine derivatives and, more particularly, to phthalazine derivatives that are useful as protein kinase inhibitors. The invention also relates to methods of preparing the compounds, compositions containing the compounds, and methods of treatment using the compounds.
  [FR] La présente invention concerne de nouveaux dérivés de phtalazine et, plus particulièrement, des dérivés de phtalazine qui sont utiles en tant qu'inhibiteurs de protéines kinases. L'invention concerne également des méthodes de préparation desdits composés, des compositions contenant lesdits composés, ainsi que des méthodes de traitement faisant appel auxdits composés.