4-ethynyl-2-(trifluoromethyl)benzonitrile | 239104-49-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-ethynyl-2-(trifluoromethyl)benzonitrile
• CAS: 239104-49-5
• 化学式: C₁₀H₄F₃N
• 分子量: 195.144
• InChiKey: QPAKWXWOOVDFDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-ethynyl-2-(trifluoromethyl)benzonitrile 在 劳森试剂 、 copper(l) iodide 、 三溴化硼 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 二甲基亚砜 、 甲苯 为溶剂， 反应 64.0h， 生成 4-(1-(5-(3-hydroxy-2-thioxopyridin-1(2H)-yl)pentyl)-1H-1,2,3-triazol-4-yl)-2-(trifluoromethyl)benzonitrile
  参考文献：
  名称：

  Synthesis and Structure–Activity Relationship of 3-Hydroxypyridine-2-thione-Based Histone Deacetylase Inhibitors

  摘要：

  We previously identified 3-hydroxypyridine-2-thione (3HPT) as a novel zinc binding group for histone deacetylase (HDAC) inhibition. Early structure activity relationship (SAR) studies led to various small molecules possessing selective inhibitory activity against HDAC6 or HDAC8 but devoid of HDAC1 inhibition. To delineate further the depth of the SAR of 3HPT-derived HDAC inhibitors (HDACi), we have extended the SAR studies to include the linker region and the surface recognition group to optimize the HDAC inhibition. The current efforts resulted in the identification of two lead compounds, 10d and 14e, with potent HDAC6 and HDAC8 activities that are inactive against HDAC1. These new HDACi possess anticancer activities against various cancer cell lines including Jurkat J.gamma 1 for which SAHA and the previously disclosed 3HPT-derived HDACi were inactive.

  DOI：

  10.1021/jm401225q
• 作为产物：
  描述：

  2-(trifluoromethyl)-4-((trimethylsilyl)ethvnyl)benzonitrile 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以93%的产率得到4-ethynyl-2-(trifluoromethyl)benzonitrile
  参考文献：
  名称：

  [EN] NOVEL IMIDAZOLIDINE-2,4-DIONE DERIVATIVES
  [FR] NOUVEAUX DÉRIVÉS D'IMIDAZOLIDINE-2,4-DIONE

  摘要：

  本申请的主题是公式（I）的新型咪唑烷-2,4-二酮衍生物。这些产品具有抗增殖活性，特别适用于治疗与异常细胞增殖相关的病理状态和疾病，如癌症。该发明还涉及含有上述产品的药物组合物以及它们用于制备药物的用途。

  公开号：

  WO2015100617A1

文献信息

• 화합물 및 이를 포함한 유기 발광 소자
  申请人：LG CHEM, LTD. 주식회사 엘지화학(120010134563) Corp. No ▼ 110111-2207995BRN ▼107-81-98139

  公开号：KR20190118137A

  公开（公告）日：2019-10-17

  본 명세서는 화학식 1로 표시되는 화합물 및 이를 포함하는 유기 발광 소자를 제공한다.

  本说明书提供了以化学式1表示的化合物和包含它的有机发光器件。
• ORGANIC COMPOUND, AND ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME
  申请人：LG Display Co., Ltd

  公开号：US20220194883A1

  公开（公告）日：2022-06-23

  The present disclosure relates to an organic compound being represented by Formula 1, an organic light emitting diode including the organic compound and an organic light emitting device including the organic light emitting diode. The organic compound is included in an organic layer of the organic light emitting diode.

  本公开涉及一种由公式1表示的有机化合物，包括该有机化合物的有机发光二极管和包括该有机发光二极管的有机发光装置。该有机化合物包含在有机发光二极管的有机层中。
• NOVEL IMIDAZOLIDINE-2,4-DIONE DERIVATIVES
  申请人：IPSEN PHARMA S.A.S.

  公开号：EP3089974A1

  公开（公告）日：2016-11-09
• US9975880B2
  申请人：——

  公开号：US9975880B2

  公开（公告）日：2018-05-22