4-((4-aminophenyl)ethynyl)phenol

• 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-((4-aminophenyl)ethynyl)phenol
• 英文别名: 4-[2-(4-aminophenyl)ethynyl]phenol
• 化学式: C₁₄H₁₁NO
• 分子量: 209.247
• InChiKey: UEXPTYYZDKMACI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-((4-aminophenyl)ethynyl)phenol 、 (4aR,7aS)-6-(3-chloropropyl)hexahydro-2H-[1,4]dioxino[2,3-c]pyrrole 在 potassium carbonate 、 potassium iodide 作用下， 以 乙腈 为溶剂， 以61.7%的产率得到4-((4-(3-((4aR,7aS)-tetrahydro-2H-[1,4]dioxino[2,3-c]pyrrol-6(3H)-yl)propoxy)phenyl)ethynyl)aniline
  参考文献：
  名称：

  [EN] SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF
  [FR] DÉRIVÉS D'URÉE SUBSTITUÉS ET UTILISATIONS PHARMACEUTIQUES DE CEUX-CI

  摘要：

  本文提供了新颖的取代脲衍生物及其药物组合物。本文还提供了这些化合物或药物组合物用于预防、管理、治疗或减轻增殖性疾病，并调节蛋白激酶活性的用途。

  公开号：

  WO2016008433A1
• 作为产物：
  描述：

  4-碘苯酚 、 4-乙炔基苯胺 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide ammonium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以54%的产率得到4-((4-aminophenyl)ethynyl)phenol
  参考文献：
  名称：

  New Diphenylacetylenes as Probes for Positron Emission Tomographic Imaging of Amyloid Plaques

  摘要：

  A series of F-18 fluoropegylated diphenylacetylenes as probes for binding to A beta plaques were successfully prepared. These relatively rigid acetylenes, 12a, 12b, 14a, and 14b, displayed high binding affinities in postmortem AD brain homogenates (K-i ranging from 1.2 to 2.9 nM). In vivo biodistribution in normal mice exhibited excellent initial brain penetrations (4.42, 4.55, 5.41, and 6.78% dose/g at 2 min for [F-18]12a, 12b, 14a, and 14b, respectively). [F-18]12b and [F-18]14b, with a longer fluoropegylated unit, that is, n = 3, showed faster brain washout at 30 min postinjection (0.42 and 1.57% dose/g) as compared to the shorter fluoropegylated chain ligands, that is, [F-18]12a and [F-18]14a(1.03 and 3.69% dose/g). Autoradiography and homogenate binding confirmed the high binding signal due to A beta plaques. These preliminary results suggest that the novel diphenylacetylenes may be potentially useful for imaging of A beta plaques in the brain of patients with Alzheimer's disease.

  DOI：

  10.1021/jm070090j

文献信息

• Substituted urea derivatives and pharmaceutical uses thereof
  申请人：SUNSHINE LAKE PHARMA CO., LTD.

  公开号：US10065934B2

  公开（公告）日：2018-09-04

  Provided herein are novel substituted urea derivatives, and pharmaceutical compositions thereof. Also provided herein are uses of the compounds or pharmaceutical compositions thereof for preventing, managing, treating or lessening a proliferative disease, and modulating the activity of protein kinase.

  本文提供了新型取代脲衍生物及其药物组合物。本文还提供了这些化合物或其药物组合物在预防、控制、治疗或减轻增殖性疾病以及调节蛋白激酶活性方面的用途。
• TW2017/6256
  申请人：——

  公开号：——

  公开（公告）日：——
• 1-(5-(TERT.-BUTYL)ISOXAZOL-3-YL)-3-(4-((PHENYL)ETHYNYL)PHENYL)UREA DERIVATIVES AND RELATED COMPOUNDS AS FLT3 INHIBITORS FOR TREATING CANCER
  申请人：Sunshine Lake Pharma Co., Ltd.

  公开号：EP3169671B1

  公开（公告）日：2019-08-21
• SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF
  申请人：SUNSHINE LAKE PHARMA CO., LTD.

  公开号：US20170114032A1

  公开（公告）日：2017-04-27

  Provided herein are novel substituted urea derivatives, and pharmaceutical compositions thereof. Also provided herein are uses of the compounds or pharmaceutical compositions thereof for preventing, managing, treating or lessening a proliferative disease, and modulating the activity of protein kinase.
• New Diphenylacetylenes as Probes for Positron Emission Tomographic Imaging of Amyloid Plaques
  作者：Rajesh Chandra、Shunichi Oya、Mei-Ping Kung、Catherine Hou、Lee-Way Jin、Hank F. Kung

  DOI：10.1021/jm070090j

  日期：2007.5.1

  A series of F-18 fluoropegylated diphenylacetylenes as probes for binding to A beta plaques were successfully prepared. These relatively rigid acetylenes, 12a, 12b, 14a, and 14b, displayed high binding affinities in postmortem AD brain homogenates (K-i ranging from 1.2 to 2.9 nM). In vivo biodistribution in normal mice exhibited excellent initial brain penetrations (4.42, 4.55, 5.41, and 6.78% dose/g at 2 min for [F-18]12a, 12b, 14a, and 14b, respectively). [F-18]12b and [F-18]14b, with a longer fluoropegylated unit, that is, n = 3, showed faster brain washout at 30 min postinjection (0.42 and 1.57% dose/g) as compared to the shorter fluoropegylated chain ligands, that is, [F-18]12a and [F-18]14a(1.03 and 3.69% dose/g). Autoradiography and homogenate binding confirmed the high binding signal due to A beta plaques. These preliminary results suggest that the novel diphenylacetylenes may be potentially useful for imaging of A beta plaques in the brain of patients with Alzheimer's disease.