(E)-2-methyl-3-(3-pyridinyl)-2-propenoic acid | 106988-33-4

• 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
• 英文名称: (E)-2-methyl-3-(3-pyridinyl)-2-propenoic acid
• 英文别名: (E)-2-methyl-3-(pyridin-3-yl)acrylic acid；2-Methyl-3-(pyridin-3-yl)prop-2-enoic acid；(E)-2-methyl-3-pyridin-3-ylprop-2-enoic acid
• CAS: 106988-33-4
• 化学式: C₉H₉NO₂
• 分子量: 163.176
• InChiKey: PFLDXMZZVKOXGU-FNORWQNLSA-N

物化性质

• 熔点：
  185-187 °C
• 沸点：
  308.8±17.0 °C(Predicted)
• 密度：
  1.212±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (E)-2-methyl-3-(3-pyridinyl)-2-propenoic acid 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以85%的产率得到(E)-3-(2-carboxyprop-1-en-1-yl)pyridine 1-oxide
  参考文献：
  名称：

  8-Azacoumarins的战略方针

  摘要：

  8-Azacoumarins已成为一类有前途的化合物，但由于具有挑战性而难以开发。提供了用于此类化合物的新颖，通用且实用的方法。关键的内酯化步骤使用与反式丙烯酸相连的吡啶N-氧化物作为起始原料，乙酸酐既作为活化剂，又作为溶剂。该反应涉及多个转化，包括缀合物添加，亲核芳族取代和消除。这些研究为获得8-氮杂香豆素提供了基础，使将来的工作包括发现和开发新型香豆素类药物，荧光探针，光不稳定的保护基团和其他活性分子。

  DOI：

  10.1021/acs.orglett.6b03771
• 作为产物：
  描述：

  (E)-2-Methyl-3-pyridin-3-yl-acrylic acid ethyl ester 在 水 、 potassium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 (E)-2-methyl-3-(3-pyridinyl)-2-propenoic acid
  参考文献：
  名称：

  Improvement of the antimicrobial potency, pharmacokinetic and pharmacodynamic properties of albicidin by incorporation of nitrogen atoms

  摘要：

  一种对阿尔比西丁分子进行系统吡啶扫描的方法提供了一种具有改进抗微生物特性的新的引物结构。

  DOI：

  10.1039/d1sc04019g

文献信息

• Substituted 2,3-Dihydrobenzofuranyl Compounds And Uses Thereof
  申请人：KARYOPHARM THERAPEUTICS INC.

  公开号：US20160221994A1

  公开（公告）日：2016-08-04

  The invention generally relates to substituted 2,3-dihydrobenzofuranyl compounds, and more particularly to a compound represented by Structural Formula (I), or a pharmaceutically acceptable salt thereof, wherein the variables are as defined and described herein. The invention also includes the synthesis and use of a compound of Structural Formula (I), or a pharmaceutically acceptable salt or composition thereof, e.g., in the treatment of cancer (e.g., mantle cell lymphoma), and other diseases and disorders.

  本发明通常涉及取代的2,3-二氢苯并呋喃基化合物，更具体地涉及由结构式（I）表示的化合物，或其药学上可接受的盐，在此变量的定义和描述中。本发明还包括合成和使用结构式（I）的化合物，或其药学上可接受的盐或组合物，例如在治疗癌症（例如曼托细胞淋巴瘤）和其他疾病和障碍中。
• Sorbent material for separating bio-macromolecules
  申请人：QuantuMDx Group Limited

  公开号：US10792640B2

  公开（公告）日：2020-10-06

  A sorbent material is disclosed for the one-step separation of bio-macromolecules in a single pass extraction of DNA from complex mixtures of molecules and chemicals. In one embodiment, the sorbent material comprises a silanized material at least partially coated or formed with a polymer selected from the group consisting of a poly(aryl methacrylate), a poly(aryl acrylate), a poly(heteroaryl methacrylate, a poly(heteroaryl acrylate) and a copolymer thereof.

  本发明公开了一种吸附剂材料，用于从复杂的分子和化学品混合物中单程提取 DNA 时一步分离生物大分子。在一个实施方案中，吸附材料包括硅烷化材料，该材料至少部分涂覆或形成有聚合物，该聚合物选自聚（甲基丙烯酸芳基酯）、聚（丙烯酸芳基酯）、聚（甲基丙烯酸杂芳基酯）、聚（丙烯酸杂芳基酯）及其共聚物组成的组。
• [EN] 7-AZABICYCLO-[2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS ANALGESICS AND ANTI-INFLAMMATORY AGENTS<br/>[FR] DERIVES DE 7-AZABICYCLO[2.2.1]-HEPTANE et -HEPTENE UTILISES COMME ANALGESIQUES ET AGENTS ANTI-INFLAMMATOIRES
  申请人：UNIVERSITY OF VIRGINIA

  公开号：WO1994022868A1

  公开（公告）日：1994-10-13

  (EN) 7-Azabicyclo[2.2.1]-heptane and -heptene derivatives with analgesic or anti-inflammatory activity are disclosed that can be administered to a mammal, including a human, to treat pain and inflammatory disorders. A method for the treatment of pain or inflammatory disorders is also presented that includes administering an effective amount of the compound or its pharmaceutically acceptable salt or derivative, or mixtures thereof, to a host in need of analgesic anti-inflammatory therapy, optionally in a pharmaceutically acceptable carrier or diluent.(FR) Sont décrits des dérivés de 7-Azabicyclo[2.2.1]-heptane et -heptène à activité analgésique ou anti-inflammatoire qui peuvent être administrés à un mammifère, notamment l'homme, pour traiter la douleur et les troubles inflammatoires. Est également décrit un procédé pour traiter la douleur ou les troubles inflammatoires, consistant à administrer une dose efficace du composé ou de son sel ou dérivé pharmaceutiquement acceptable ou des mélanges de ceux-ci, à un hôte nécessitant une thérapie anti-inflammatoire analgésique, éventuellement dans un excipient ou un diluant pharmaceutiquement acceptable.

  disclose that can be administered to a mammal, including a human, to treat pain and inflammatory disorders. A method for the treatment of pain or inflammatory disorders is also presented that includes administering an effective amount of the compound or its pharmaceutically acceptable salt or derivative, or mixtures thereof, to a host in need of analgesic anti-inflammatory therapy, optionally in a pharmaceutically acceptable carrier or diluent.
• Acrylamide derivatives as antiallergic agents. 2. Synthesis and structure activity relationships of N-[4-[4-(diphenylmethyl)-1-piperazinyl]butyl]-3-(3-pyridyl)acrylamides
  作者：Yoshinori Nishikawa、Tokuhiko Shindo、Katsumi Ishii、Hideo Nakamura、Tatsuya Kon、Hitoshi Uno

  DOI：10.1021/jm00123a012

  日期：1989.3

  A new series of 3-(3-pyridyl)acrylamides 16, 17, 19, and 26, and 5-(3-pyridyl)-2,4-pentadienamides 20-25 were prepared and evaluated for their antiallergic activity. Several of these compounds exhibited more potent inhibitory activities than the parent compound 1a [(E)-N-[4-[4-(diphenylmethyl)-1-piperazinyl]butyl]-3- (3-pyridyl)acrylamide] against the rat passive cutaneous anaphylaxis (PCA) reaction and the enzyme 5-lipoxygenase. Particularly, (E)-N-[4-[4-(diphenylmethyl)-1-piperazinyl]butyl]-3- (6-methyl-3-pyridyl)acrylamide (17p) showed an ED50 value of 3.3 mg/kg po in the rat PCA test, which was one-fifth of ketotifen and oxatomide. As compared with ketotifen and oxatomide, compound 17p (AL-3264) possessed a better balance of antiallergic properties due to inhibition of chemical mediator release, inhibition of 5-lipoxygenase, and antagonism of histamine.
• 7-AZABICYCLO- 2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS ANALGESICS AND ANTI-INFLAMMATORY AGENTS
  申请人：UNIVERSITY OF VIRGINIA

  公开号：EP0691971A1

  公开（公告）日：1996-01-17