(6-氟-3-吡啶基)乙腈 | 337965-61-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: (6-氟-3-吡啶基)乙腈
• 英文名称: (6-fluoro-pyridin-3-yl)-acetonitrile
• 英文别名: 5-cyanomethyl-2-fluoropyridine；2-(6-Fluoropyridin-3-YL)acetonitrile
• CAS: 337965-61-4
• 化学式: C₇H₅FN₂
• mdl: MFCD09923795
• 分子量: 136.129
• InChiKey: VNYKSXXXDRXGHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  36.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P261,P264,P270,P271,P280,P302+P352,P304+P340,P310,P330,P361,P403+P233,P405,P501
• 危险品运输编号：
  2810
• 危险性描述：
  H301,H311,H331
• 储存条件：
  2-8℃，惰性气体

反应信息

• 作为反应物：
  描述：

  (6-氟-3-吡啶基)乙腈 在 potassium tert-butylate 、 sodium chloride 作用下， 以 四氢呋喃 、 乙醇 、 水 、 二甲基亚砜 为溶剂， 反应 7.0h， 生成 1-(6-fluoro-pyridin-3-yl)-4-oxo-cyclohexanecarbonitrile
  参考文献：
  名称：

  Benzamides

  摘要：

  本发明涉及含有抑制P2X7受体的苯甲酰胺类化合物。

  公开号：

  US20140107340A1

文献信息

• ORGANIC COMPOUND OF FORMULA (I) FOR USE IN ORGANIC ELECTRONIC DEVICES, AN ORGANIC ELECTRONIC DEVICE COMPRISING A COMPOUND OF FORMULA (I) AND A DISPLAY DEVICE COMPRISING THE ORGANIC ELECTRONIC DEVICE
  申请人：Novaled GmbH

  公开号：EP3989303A1

  公开（公告）日：2022-04-27

  The present invention relates to a compound of formula (I) and an organic electronic device comprising a semiconductor layer which comprises a compound of formula (I).

  本发明涉及一种式 (I) 化合物和一种有机电子器件，该器件包含一个由式 (I) 化合物组成的半导体层。
• Benzamides-containing compounds and their use in the treatment of epilepsy
  申请人：MINDIMMUNE THERAPEUTICS, INC.

  公开号：US10238654B2

  公开（公告）日：2019-03-26

  The present invention is directed to benzamide-containing compounds of formula I or pharmaceutically acceptable salts thereof which inhibit the P2X7 receptor, and their use in the treatment of epilepsy.

  本发明涉及式 I 的含苯甲酰胺化合物 或其药学上可接受的盐，它们能抑制 P2X7 受体，并可用于治疗癫痫。
• Structure-activity relationship study towards non-peptidic positron emission tomography (PET) radiotracer for gastrin releasing peptide receptors: Development of [18F] (S)-3-(1H-indol-3-yl)-N-[1-[5-(2-fluoroethoxy)pyridin-2-yl]cyclohexylmethyl]-2-methyl-2-[3-(4-nitrophenyl)ureido]propionamide
  作者：Enza Lacivita、Ermelinda Lucente、Chantal Kwizera、Ines F. Antunes、Mauro Niso、Paola De Giorgio、Roberto Perrone、Nicola A. Colabufo、Philip H. Elsinga、Marcello Leopoldo

  DOI：10.1016/j.bmc.2016.10.031

  日期：2017.1

  Gastrin-releasing peptide receptors (GRP-Rs, also known as bombesin 2 receptors) are overexpressed in a variety of human cancers, including prostate cancer, and therefore they represent a promising target for in vivo imaging of tumors using positron emission tomography (PET). Structural modifications of the nonpeptidic GRP-R antagonist PD-176252 ((S)-1a) led to the identification of the fluorinated analog (S)-3(1H-indol-3-yl)-N-[1-[5-(2-fluoroethoxy) pyridin-2-yl] cyclohexylmethyl]-2-methyl-2-[3-(4-nitrophenyl) ureido] propionamide ((S)-1m) that showed high affinity and antagonistic properties for GRP-R. This antagonist was stable in rat plasma and towards microsomal oxidative metabolism in vitro. (S)-1m was successfully radiolabeled with fluorine-18 through a conventional radiochemistry procedure. [F-18] (S)-1m showed high affinity and displaceable interaction for GRP-Rs in PC3 cells in vitro. (C) 2016 Elsevier Ltd. All rights reserved.
• 2-BENZYL AND 2-HETEROARYL BENZIMIDAZOLE NMDA/NR2B ANTAGONISTS
  申请人：Merck & Co., Inc.

  公开号：EP1242076A1

  公开（公告）日：2002-09-25
• EP1242076A4
  申请人：——

  公开号：EP1242076A4

  公开（公告）日：2002-11-27