2-(trimethylsilyl)ethylpiperazine-1-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-(trimethylsilyl)ethylpiperazine-1-carboxylate
• 英文别名: N-Teoc-piperazine；N1-(Trimethylsilylethoxycarbonyl)piperazine；2-(Trimethylsilyl)ethyl piperazine-1-carboxylate；2-trimethylsilylethyl piperazine-1-carboxylate
• 化学式: C₁₀H₂₂N₂O₂Si
• 分子量: 230.382
• InChiKey: IDIFIHFGDRTGMI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.37
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(trimethylsilyl)ethylpiperazine-1-carboxylate 在 20% palladium hydroxide-activated charcoal 、 氢气 、 三乙胺 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 30.0h， 生成 2-(trimethylsilyl)ethyl 4-(4-(2-amino-3-hydroxyphenoxy)butyl)piperazine-1-carboxylate
  参考文献：
  名称：

  [EN] RIFAMYCIN ANALOGS
  [FR] ANALOGUES DE RIFAMYCINE

  摘要：

  Provided herein are compounds that are potent inhibitors of theMycobacterium tuberculosis(MTB) RNA polymerase (RNAP), which exhibit significantly reduced activation of the human pregnane X receptor (hPXR), resulting in dramatically reduced induction of hepatic cytochromes P450 2C9 and 3A4 (CYP2C9, CYP3A4), as well as a number of Phase II metabolism enzymes. Also provided herein are pharmaceutical compositions comprising the compounds, and methods of treating tuberculosis using the compounds.

  公开号：

  WO2022159491A1
• 作为产物：
  描述：

  哌嗪 、 对硝基苯基三甲基硅乙基碳酸酯 以 甲醇 、 乙腈 为溶剂， 以15.24 g (94%)的产率得到2-(trimethylsilyl)ethylpiperazine-1-carboxylate
  参考文献：
  名称：

  NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION

  摘要：

  提供具有抗菌和其他用途的化合物混合物。这些混合物通常在溶液相中形成，由嘌呤或嘧啶杂环支架与一组相关的化学取代物反应而成，可选地通过使用连接基团。根据本发明形成的文库本身具有实用性并且是商业产品。它们可用于筛选杀虫剂、药物和其他生物活性化合物。

  公开号：

  US20020009748A1

文献信息

• Nucleobase heterocyclic combinatorialization
  申请人：Cook Phillip Dan

  公开号：US06893815B1

  公开（公告）日：2005-05-17

  Mixtures of chemical compounds are provided having antibacterial and other utility. The mixtures are formed, preferably in solution phase, from the reaction of a purine or pyrimiding heterocyclic scaffold with a set of related chemical substituients, optionally through employment of a tether moiety. Libraries formed in accordance with the invention have utility per se and are articles of commerce. They can be used to screen for pesticides, drugs and other biologically active compounds.

  提供了混合化合物，具有抗菌和其他实用性。这些混合物是从嘌呤或嘧啶杂环支架与相关化学取代基反应形成的，最好在溶液相中，可以通过使用连结基团来实现。根据本发明形成的文库本身具有实用性并且是商业产品。它们可以用于筛选杀虫剂、药物和其他生物活性化合物。
• [EN] HISTONE DEMETHYLASE INHIBITORS AND USES THEREOF FOR TREATMENT O F CANCER<br/>[FR] INHIBITEURS D'HISTONE DÉMÉTHYLASE ET UTILISATIONS DE CEUX-CI POUR LE TRAITEMENT DE CANCER
  申请人：NEVADA CANCER INST

  公开号：WO2012071469A3

  公开（公告）日：2012-07-26
• [EN] RIFAMYCIN ANALOGS<br/>[FR] ANALOGUES DE RIFAMYCINE
  申请人：[en]THE REGENTS OF THE UNIVERSITY OF MICHIGAN

  公开号：WO2022159491A1

  公开（公告）日：2022-07-28

  Provided herein are compounds that are potent inhibitors of theMycobacterium tuberculosis(MTB) RNA polymerase (RNAP), which exhibit significantly reduced activation of the human pregnane X receptor (hPXR), resulting in dramatically reduced induction of hepatic cytochromes P450 2C9 and 3A4 (CYP2C9, CYP3A4), as well as a number of Phase II metabolism enzymes. Also provided herein are pharmaceutical compositions comprising the compounds, and methods of treating tuberculosis using the compounds.
• NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION
  申请人：——

  公开号：US20020009748A1

  公开（公告）日：2002-01-24

  Mixtures of chemical compounds are provided having antibacterial and other utility. The mixtures are formed, preferably in solution phase, from the reaction of a purine or pyrimiding heterocyclic scaffold with a set of related chemical substituients, optionally through employment of a tether moiety. Libraries formed in accordance with the invention have utility per se and are articles of commerce. They can be used to screen for pesticides, drugs and other biologically active compounds.

  提供具有抗菌和其他用途的化合物混合物。这些混合物通常在溶液相中形成，由嘌呤或嘧啶杂环支架与一组相关的化学取代物反应而成，可选地通过使用连接基团。根据本发明形成的文库本身具有实用性并且是商业产品。它们可用于筛选杀虫剂、药物和其他生物活性化合物。
• Optimization of Benzoxazinorifamycins to Improve <i>Mycobacterium tuberculosis</i> RNA Polymerase Inhibition and Treatment of Tuberculosis
  作者：Walajapet Rajeswaran、Shireen R. Ashkar、Pil H. Lee、Larisa Yeomans、Yeonoh Shin、Scott G. Franzblau、Katsuhiko S. Murakami、Hollis D. Showalter、George A. Garcia

  DOI：10.1021/acsinfecdis.1c00636

  日期：2022.8.12