1-Acetyl-4,4'-bipiperidine | 674774-74-4

• 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: 1-Acetyl-4,4'-bipiperidine
• 英文别名: 1-(4-piperidin-4-ylpiperidin-1-yl)ethanone
• CAS: 674774-74-4
• 化学式: C₁₂H₂₂N₂O
• mdl: MFCD06740337
• 分子量: 210.319
• InChiKey: HLJPYZSQIJPJIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.916
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  1-Acetyl-4,4'-bipiperidine 以 四氢呋喃 、 乙腈 为溶剂， 反应 22.0h， 生成
  参考文献：
  名称：

  A Wrench-Shaped Synthetic Molecule that Modulates a Transcription Factor−Coactivator Interaction

  摘要：

  Development of synthetic molecules that provide external control over the transcription of a given gene represents a challenge in medicinal and bioorganic chemistry. Here we report design and analysis of wrenchnolol, a wrench-shaped synthetic molecule that impairs the transcription of the Her2 oncogene by disrupting association of transcription factor ESX with its coactivator Sur-2. The "jaw" part of the compound mimics the alpha-helical interface of the activation domain of ESX, and the "handle" region accepts chemical modifications for a range of analysis. A water-soluble handle permitted NMR study in aqueous solution; a biotinylated handle verified the selectivity of the interaction, and a fluorescent handle confirmed the cell permeability of the compound. The case study of wrenchnolol foreshadows the promise and the challenge of targeting protein-protein interactions in the nucleus and may lead to the development of unique synthetic modulators of gene transcription.

  DOI：

  10.1021/ja038855+
• 作为产物：
  描述：

  4,4'-二哌啶 、 乙酸酐 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 0.5h， 以51%的产率得到1-Acetyl-4,4'-bipiperidine
  参考文献：
  名称：

  A Wrench-Shaped Synthetic Molecule that Modulates a Transcription Factor−Coactivator Interaction

  摘要：

  Development of synthetic molecules that provide external control over the transcription of a given gene represents a challenge in medicinal and bioorganic chemistry. Here we report design and analysis of wrenchnolol, a wrench-shaped synthetic molecule that impairs the transcription of the Her2 oncogene by disrupting association of transcription factor ESX with its coactivator Sur-2. The "jaw" part of the compound mimics the alpha-helical interface of the activation domain of ESX, and the "handle" region accepts chemical modifications for a range of analysis. A water-soluble handle permitted NMR study in aqueous solution; a biotinylated handle verified the selectivity of the interaction, and a fluorescent handle confirmed the cell permeability of the compound. The case study of wrenchnolol foreshadows the promise and the challenge of targeting protein-protein interactions in the nucleus and may lead to the development of unique synthetic modulators of gene transcription.

  DOI：

  10.1021/ja038855+

文献信息

• Modified amino acids, pharmaceuticals containing these compounds and method for their production
  申请人：RUDOLF Klaus

  公开号：US20090163480A1

  公开（公告）日：2009-06-25

  The present invention relates to modified amino acids of general formula wherein A, Z, X, n, m, R, R 2 , R 3 , R 4 and R 11 are defined as in claims 1 to 5 , their tautomers, their diastereomers, their enantiomers, the mixtures thereof and the salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, pharmaceutical compositions containing these compounds, the use thereof and processes for preparing them as well as their use for the production and purification of antibodies and as labelled compounds in RIA- and ELISA assays and as diagnostic or analytical aids in neurotransmitter research.

  本发明涉及一般式为的改性氨基酸，其中A，Z，X，n，m，R，R2，R3，R4和R11如权利要求1至5所定义，它们的互变异构体，对映异构体，混合物及其盐，特别是与无机或有机酸或碱的生理上可接受的盐，含有这些化合物的制药组合物，它们的用途和制备它们的过程，以及它们用于生产和纯化抗体，并用作RIA和ELISA测定中的标记化合物以及神经递质研究中的诊断或分析辅助工具。
• 4-cyano-benzyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors
  申请人：Boehringer Ingelheim International GmbH

  公开号：US10336729B2

  公开（公告）日：2019-07-02

  The invention relates to new benzonitrile derivatives of the formula (I) wherein R1 to R3 and A are as defined in the description and Claims, to their medicaments, to methods for their therapeutic use and to pharmaceutical compositions containing them.

  本发明涉及式（I）（其中 R1 至 R3 和 A 如说明书和权利要求书中所定义）的新苯甲腈衍生物，涉及它们的药物、它们的治疗使用方法和含有它们的药物组合物。
• 4-CYANO-BENZYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS
  申请人：Boehringer Ingelheim International GmbH

  公开号：US20190077790A1

  公开（公告）日：2019-03-14

  The invention relates to new benzonitrile derivatives of the formula (I) wherein R 1 to R 3 and A are as defined in the description and Claims, to their medicaments, to methods for their therapeutic use and to pharmaceutical compositions containing them.
• US7498325B2
  申请人：——

  公开号：US7498325B2

  公开（公告）日：2009-03-03
• A Wrench-Shaped Synthetic Molecule that Modulates a Transcription Factor−Coactivator Interaction
  作者：Hiroki Shimogawa、Youngjoo Kwon、Qian Mao、Yoshinori Kawazoe、Yongmun Choi、Shinichi Asada、Hideo Kigoshi、Motonari Uesugi

  DOI：10.1021/ja038855+

  日期：2004.3.1

  Development of synthetic molecules that provide external control over the transcription of a given gene represents a challenge in medicinal and bioorganic chemistry. Here we report design and analysis of wrenchnolol, a wrench-shaped synthetic molecule that impairs the transcription of the Her2 oncogene by disrupting association of transcription factor ESX with its coactivator Sur-2. The "jaw" part of the compound mimics the alpha-helical interface of the activation domain of ESX, and the "handle" region accepts chemical modifications for a range of analysis. A water-soluble handle permitted NMR study in aqueous solution; a biotinylated handle verified the selectivity of the interaction, and a fluorescent handle confirmed the cell permeability of the compound. The case study of wrenchnolol foreshadows the promise and the challenge of targeting protein-protein interactions in the nucleus and may lead to the development of unique synthetic modulators of gene transcription.