2-(3-Hydroxy-1-propinyl)-9-trifluoromethylpaullone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 2-(3-Hydroxy-1-propinyl)-9-trifluoromethylpaullone
• 英文别名: 2-(3-hydroxyprop-1-ynyl)-9-(trifluoromethyl)-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
• 化学式: C₂₀H₁₃F₃N₂O₂
• 分子量: 370.331
• InChiKey: QNQUCAXGTRFYJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  27
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  65.1
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-氨基-5-碘苯甲酸 在 吡啶 、 盐酸 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 TEA 、 potassium hydride 、 溶剂黄146 、 二甲基亚砜 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 23.0h， 生成 2-(3-Hydroxy-1-propinyl)-9-trifluoromethylpaullone
  参考文献：
  名称：

  2-Substituted paullones: CDK1/cyclin B-inhibiting property and in vitro antiproliferative activity

  摘要：

  9-Trifluoromethyl-paullones with a carbon chain in the 2-position were synthesized by palladium-catalyzed coupling reactions of a 2-iodoprecursor with terminal alkenes or alkynes, respectively. The introduction of a 2-cyanoethyl substituent led to a significant enhancement of CDK1/cyclin B inhibiting property and in vitro antiproliferative activity. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00048-2

文献信息

• Three hybrid assay system
  申请人：GPC Biotech AG

  公开号：EP1975620A2

  公开（公告）日：2008-10-01

  The invention provides compositions and methods for isolating ligand binding polypeptides for a user-specified ligand, and for isolating small molecule ligands for a user-specified target polypeptide using an improved class of hypbrid ligand compounds.

  本发明提供了用于分离用户指定配体的配体结合多肽的组合物和方法，以及使用改良的低杂合配体化合物分离用户指定目标多肽的小分子配体的组合物和方法。
• THREE HYBRID ASSAY SYSTEM
  申请人：GPC Biotech AG

  公开号：EP1364212B1

  公开（公告）日：2011-02-02
• METHODS AND COMPOSITIONS OF P27KIP1 TRANSCRIPTIONAL MODULATORS
  申请人：ST. JUDE CHILDREN'S RESEARCH HOSPITAL

  公开号：US20160030445A1

  公开（公告）日：2016-02-04

  In one aspect, the invention relates to pharmaceutical compositions comprising agents that activate the expression of Atoh1, or pharmaceutically acceptable salts, solvates, or polymorphs thereof; and agents that inhibit the expression of p27 Kip1 , or pharmaceutically acceptable salts, solvates, or polymorphs thereof, which are useful for inducing the formation of cochlear hair cells; and methods of treating hearing impairments or disorders using the compositions. In one aspect, the invention relates to pharmaceutical compositions comprising β-catenin; and agents that activate the expression of Atoh1, or pharmaceutically acceptable salts, solvates, or polymorphs thereof. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.
• Methods and Compositions of P27KIP1 Transcriptional Modulators
  申请人：St. Jude Children's Research Hospital

  公开号：US20170189477A1

  公开（公告）日：2017-07-06

  In one aspect, the invention relates to pharmaceutical compositions comprising agents that activate the expression of Atoh1, or pharmaceutically acceptable salts, solvates, or polymorphs thereof and agents that inhibit the expression of p27 Kip1 , or pharmaceutically acceptable salts, solvates, or polymorphs thereof, which are useful for inducing the formation of cochlear hair cells; and methods of treating hearing impairments or disorders using the compositions. In one aspect, the invention relates to pharmaceutical compositions comprising β-catenin; and agents that activate the expression of Atoh1, or pharmaceutically acceptable salts, solvates, or polymorphs thereof. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.
• US7393953B2
  申请人：——

  公开号：US7393953B2

  公开（公告）日：2008-07-01