3-(pyridin-2-ylethynyl)aniline | 930395-74-7

• 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: 3-(pyridin-2-ylethynyl)aniline
• 英文别名: 3-[2-(Pyridin-2-yl)ethynyl]aniline；3-(2-pyridin-2-ylethynyl)aniline
• CAS: 930395-74-7
• 化学式: C₁₃H₁₀N₂
• mdl: MFCD09376388
• 分子量: 194.236
• InChiKey: FPKGDVGTWRHHDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 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：
  38.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(pyridin-2-ylethynyl)aniline 在 三甲基铝 、 双(2-氧代-3-恶唑烷基)次磷酰氯 、 三乙胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 32.58h， 生成 N¹-cyclopropyl-N⁴-(3-(pyridin-2-ylethynyl)phenyl)terephthalamide
  参考文献：
  名称：

  SUBSTITUTED PHENYL ET458HYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS

  摘要：

  The present disclosure is concerned with substituted phenyl ethynyl pyridine carboxamide compounds, pharmaceutical compositions comprising the compounds, and methods of treating viral infections due to a Coronavirus such as, for example, Middle East respiratory syndrome coronavirus (MERS-CoV), severe acute respiratory syndrome coronavirus (SARS-CoV), and severe acute respiratory syndrome coronavirus disease 2019 (SARS-CoV-2), using the compounds. 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.

  公开号：

  US20230192733A1
• 作为产物：
  描述：

  2-氯吡啶 、 3-氨基苯乙炔 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以30%的产率得到3-(pyridin-2-ylethynyl)aniline
  参考文献：
  名称：

  双吡啶苯衍生物的位置异构体诱导mGlu 5负变构调节的功效变化

  摘要：

  代谢型谷氨酸受体5（组mGlu的调制5与部分变构拮抗剂）已经接收到增加的兴趣，因为它们有利的体内活性谱相比充分反向激动剂的不利的副作用。在这里，我们报道了一系列具有影响拮抗功效的功能性分子开关的双吡啶苯衍生物，从反激动作用转变为部分拮抗作用，而苯环的取代方式只有一个变化。这些功效的变化通过计算对接进行了解释，揭示了两个不同的受体构象，这些构象具有不同的能量稳定性和不同的位置异构体结合偏好。

  DOI：

  10.1016/j.ejmech.2017.01.013

文献信息

• ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF
  申请人：Fujifilm Corporation

  公开号：EP2202220A1

  公开（公告）日：2010-06-30

  [Problem to be Solved] To provide an acetylene compound having a structure in which a unit having an amino group and a unit having an ethynyl group are bonded via a linking group, the acetylene compound being introducable to a polymer having thermal resistance. [Means for Solving the Problem] An acetylene compound represented by the following Formula (1) and a salt thereof: wherein in Formula (1), X represents a single bond or a divalent linking group; A represents a hydrocarbon group, a heteroaromatic ring or a heteroalicyclic compound; B represents a hydrocarbon group, a heteroaromatic ring, a heteroalicyclic compound or a single bond; R1 represents a hydrogen atom, a hydrocarbon group, a heteroaromatic ring, a heteroalicyclic compound or a silyl group; R4 represents a hydrogen atom or a group that can be a substituent of an amino group; and m, n and a each independently represent an integer of 1 or greater.

  解决的问题是提供一种乙炔化合物，其结构中含有通过连接基团连接的具有氨基团和乙炔基团的单元，该乙炔化合物可引入到具有热阻抗的聚合物中。解决问题的方法是通过以下式（1）表示的乙炔化合物及其盐：其中在式（1）中，X代表单键或二价连接基团；A代表烃基团、杂环芳香环或杂环脂环化合物；B代表烃基团、杂环芳香环、杂环脂环化合物或单键；R1代表氢原子、烃基团、杂环芳香环、杂环脂环化合物或硅基团；R4代表氢原子或可作为氨基团的取代基团；m、n和a分别独立表示大于或等于1的整数。
• ACETYLENE COMPOUND
  申请人：Fujifilm Corporation

  公开号：EP2202221A1

  公开（公告）日：2010-06-30

  The invention provides an acetylene compound represented by the following Formula (1), which is useful as a raw material for a polymer achieving high thermal resistance; wherein, in Formula (1), the encircled Ar represents an aryl group or a heteroaryl group; X represents a divalent linking group; R, R' and R1 each independently represent a hydrogen atom, a hydrocarbon group or a heterocyclic group; R2 represents a hydrogen atom or a substituent substitutable on a benzene ring; A represents a hydrocarbon group or a heterocyclic group; Q represents a hydrogen atom, a hydrocarbon group, or a metal element capable of forming a monovalent metal salt; a represents an integer from 0 or more; b, m and n each independently represent an integer of 1 or more; when n, m and b are 1 at the same time, X is not -(C=O)O-; and when n is 2, and both m and b are 1, X is not -O-.

  本发明提供了一种由下式（1）表示的乙炔化合物，它可用作具有高耐热性的聚合物的原料； 其中，在式(1)中，环绕的 Ar 代表芳基或杂芳基；X 代表二价连接基团；R、R'和 R1 各自独立地代表氢原子、烃基或杂环基团；R2 代表氢原子或可取代苯环的取代基；A 代表烃基或杂环基团；Q代表氢原子、烃基或能形成一价金属盐的金属元素；a代表0或0以上的整数；b、m和n各自独立地代表1或1以上的整数；当n、m和b同时为1时，X不是-(C=O)O-；当n为2且m和b均为1时，X不是-O-。
• Linked diaryl compounds with anticancer properties and methods of using the same
  申请人：University of Maryland, College Park

  公开号：US10130625B2

  公开（公告）日：2018-11-20

  Provided are compositions comprising linked diaryl compounds that possess anticancer properties. Methods of use are also disclosed herein. The method comprises administering an effective amount of a compound described herein to an individual in need thereof.

  本文提供了由具有抗癌特性的链接二芳基化合物组成的组合物。本文还公开了使用方法。该方法包括向有需要的个体施用有效量的本文所述化合物。
• Alkyne-substituted diminazene as G-quadruplex binders with anticancer activities
  作者：Changhao Wang、Brandon Carter-Cooper、Yixuan Du、Jie Zhou、Musabbir A. Saeed、Jinbing Liu、Min Guo、Benjamin Roembke、Clinton Mikek、Edwin A. Lewis、Rena G. Lapidus、Herman O. Sintim

  DOI：10.1016/j.ejmech.2016.04.030

  日期：2016.8

  G-quadruplex ligands have been touted as potential anticancer agents, however, none of the reported G-quadruplex-interactive small molecules have gone past phase II clinical trials. Recently it was revealed that diminazene (berenil, DMZ) actually binds to G-quadruplexes 1000 times better than DNA duplexes, with dissociation constants approaching 1 nM. DMZ however does not have strong anticancer activities. In this paper, using a panel of biophysical tools, including NMR, FRET melting assay and FRET competition assay, we discovered that monoamidine analogues of DMZ bearing alkyne substitutes selectively bind to G-quadruplexes. The lead DMZ analogues were shown to be able to target c-MYC G-quadruplex both in vitro and in vivo. Alkyne DMZ analogues display respectable anticancer activities (single digit micromolar GI(50)) against ovarian (OVCAR-3), prostate (PC-3) and triple negative breast (MDA-MB-231) cancer cell lines and represent interesting new leads to develop anticancer agents. (C) 2016 Elsevier Masson SAS. All rights reserved.
• Structure−Activity Relationships of Substituted 1-Pyridyl-2-phenyl-1,2-ethanediones: Potent, Selective Carboxylesterase Inhibitors
  作者：Brandon M. Young、Janice L. Hyatt、David C. Bouck、Taosheng Chen、Parimala Hanumesh、Jeanine Price、Vincent A. Boyd、Philip M. Potter、Thomas R. Webb

  DOI：10.1021/jm101101q

  日期：2010.12.23

  Inhibition of intestinal carboxylesterases may allow modification of the pharmacokinetics/pharmacodynamic profile of existing drugs by altering half-life or toxicity. Since previously identified diarylethane-1,2-dione inhibitors are decidedly hydrophobic, a modified dione scaffold was designed and elaborated into a > 300 member library, which was subsequently screened to establish the SAR for esterase inhibition. This allowed the identification of single digit nanomolar hiCE inhibitors that showed improvement in selectivity and measured solubility.