ethyl 1-(4-(tertbutoxycarbonyl)phenyl)piperidine-4-carboxylate | 179487-85-5

• 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: ethyl 1-(4-(tertbutoxycarbonyl)phenyl)piperidine-4-carboxylate
• 英文别名: Ethyl 1-(4-t-butoxycarbonyl)phenyl-4-piperidinecarboxylate；Ethyl 1-(4-(tert-butoxycarbonyl)phenyl)piperidine-4-carboxylate；ethyl 1-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]piperidine-4-carboxylate
• CAS: 179487-85-5
• 化学式: C₁₉H₂₇NO₄
• 分子量: 333.428
• InChiKey: VYTOPJMXKDLVFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 1-(4-(tertbutoxycarbonyl)phenyl)piperidine-4-carboxylate 在 四甲基乙二胺 、 sodium carbonate 、 三氟乙酸 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Towards the next generation of dual Bcl-2/Bcl-xL inhibitors

  摘要：

  Structural modifications of the left-hand side of compound 1 were identified which retained or improved potent binding to Bcl-2 and Bcl-x(L) in in vitro biochemical assays and had strong activity in an RS4;11 apoptotic cellular assay. For example, sulfoxide diastereomer 13 maintained good binding affinity and comparable cellular potency to 1 while improving aqueous solubility. The corresponding diastereomer (14) was significantly less potent in the cell, and docking studies suggest that this is due to a stereochemical preference for the R-S versus S-S sulfoxide. Appending a dimethylaminoethoxy side chain (27) adjacent to the benzylic position of the biphenyl moiety of 1 improved cellular activity by approximately threefold, and this activity was corroborated in cell lines overexpressing Bcl-2 and Bcl-x(L). (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.05.036
• 作为产物：
  描述：

  对氟苯甲酸叔丁酯 在 N,N-二异丙基乙胺 作用下， 以 二甲基亚砜 为溶剂， 以65%的产率得到ethyl 1-(4-(tertbutoxycarbonyl)phenyl)piperidine-4-carboxylate
  参考文献：
  名称：

  Fibrinogen receptor antagonists

  摘要：

  本发明涉及一种新型化合物，其能够抑制血小板聚集，包含该化合物的药物组合物以及使用该化合物的方法。

  公开号：

  US05795893A1

文献信息

• [EN] DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES<br/>[FR] DÉRIVÉS DE DIHYDROPYRIMIDINE ET LEURS UTILISATIONS DANS LE TRAITEMENT D'UNE INFECTION PAR LE VIRUS DE L'HÉPATITE B OU DE MALADIES INDUITES PAR LE VIRUS DE L'HÉPATITE B
  申请人：JANSSEN SCIENCES IRELAND UNLIMITED CO

  公开号：WO2020001448A1

  公开（公告）日：2020-01-02

  The application describes dihydropyrimidine derivatives which are useful in the treatment or prevention of HBV infection or of HBV-induced diseases, more particularly of HBV chronic infection or of diseases induced by HBV chronic infection, as well as pharmaceutical or medical applications thereof.

  该申请描述了二氢嘧啶衍生物，其在治疗或预防HBV感染或HBV引起的疾病中是有用的，尤其是HBV慢性感染或由HBV慢性感染引起的疾病，以及它们的药物或医疗应用。
• Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases
  申请人：Janssen Sciences Ireland Unlimited Company

  公开号：US11053235B2

  公开（公告）日：2021-07-06

  The application describes dihydropyrimidine derivatives which are useful in the treatment or prevention of HBV infection or of HBV-induced diseases, more particularly of HBV chronic infection or of diseases induced by HBV chronic infection, as well as pharmaceutical or medical applications thereof.

  该申请描述了可用于治疗或预防 HBV 感染或 HBV 引起的疾病，特别是 HBV 慢性感染或 HBV 慢性感染引起的疾病的二氢嘧啶衍生物，以及其在制药或医疗方面的应用。
• FIBRINOGEN RECEPTOR ANTAGONISTS
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP0801650A1

  公开（公告）日：1997-10-22
• EP0801650A4
  申请人：——

  公开号：EP0801650A4

  公开（公告）日：1998-05-06
• DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES
  申请人：Janssen Sciences Ireland Unlimited Company

  公开号：EP3814326A1

  公开（公告）日：2021-05-05