tert-butyl (E)-3-(quinolin-3-yl)acrylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: tert-butyl (E)-3-(quinolin-3-yl)acrylate
• 英文别名: 3-(Quinolin-3-yl)-acrylic acid tert-butyl ester；3-(Quinolin-3-yl)acrylic Acid t-Butyl Ester；tert-butyl (E)-3-quinolin-3-ylprop-2-enoate
• 化学式: C₁₆H₁₇NO₂
• 分子量: 255.316
• InChiKey: CDFIQSHVDBUNIW-CMDGGOBGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-溴喹啉 、 丙烯酸叔丁酯 、 三(邻甲基苯基)磷 在 palladium diacetate 三乙胺 作用下， 以95%的产率得到tert-butyl (E)-3-(quinolin-3-yl)acrylate
  参考文献：
  名称：

  Heterocyclic anti-epileptogenic agents and methods of use thereof

  摘要：

  本文披露了用于抑制癫痫发生的方法和化合物，例如β-杂环-β-氨基酸。还描述了用于制备和使用本发明的β-杂环-β-氨基酸的方法。

  公开号：

  US20030114441A1

文献信息

• [EN] CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS<br/>[FR] COMPOSÉS MONO ET SPIROCYCLIQUES CONTENANT DU CYCLOBUTANE ET DE L'AZÉTIDINE EN TANT QU'INHIBITEURS DE L'INTÉGRINE ALPHA V
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2018089355A1

  公开（公告）日：2018-05-17

  The present invention provides compounds of Formula (I): or stereoisomers, tautomers, or pharmaceutically acceptable salts or solvates thereof, wherein all the variables are as defined herein. These compounds are antagonists to αv- containing integrins. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating a disease, disorder, or condition associated with dysregulation of av-containing integrins, such as pathological fibrosis, transplant rejection, cancer, osteoporosis, and inflammatory disorders, by using the compounds and pharmaceutical compositions.

  本发明提供了式(I)的化合物：或其立体异构体、互变异构体或药学上可接受的盐或溶剂，其中所有变量如本文所定义。这些化合物是αv-含有整合素的拮抗剂。本发明还涉及包括这些化合物的药物组合物以及利用这些化合物和药物组合物治疗与αv-含有整合素失调相关的疾病、紊乱或病况的方法，如病理性纤维化、移植排斥、癌症、骨质疏松症和炎症性疾病。
• Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US11014922B2

  公开（公告）日：2021-05-25

  The present invention provides compounds of Formula (I): or stereoisomers, tautomers, or pharmaceutically acceptable salts or solvates thereof, wherein all the variables are as defined herein. These compounds are antagonists to αv-containing integrins. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating a disease, disorder, or condition associated with dysregulation of av-containing integrins, such as pathological fibrosis, transplant rejection, cancer, osteoporosis, and inflammatory disorders, by using the compounds and pharmaceutical compositions.

  本发明提供了式（I）化合物：或其立体异构体、同系物或药学上可接受的盐或溶液，其中所有变量如本文所定义。这些化合物是含αv整合素的拮抗剂。本发明还涉及包含这些化合物的药物组合物，以及通过使用这些化合物和药物组合物治疗与含av整合素失调相关的疾病、紊乱或病症的方法，如病理性纤维化、移植排斥、癌症、骨质疏松症和炎症性疾病。
• HETEROCYCLIC BETA-AMINOACIDS AND THEIR USE AS ANTI-EPILEPTOGENIC AGENTS
  申请人：QUEEN'S UNIVERSITY AT KINGSTON

  公开号：EP1397136A1

  公开（公告）日：2004-03-17
• CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20190270741A1

  公开（公告）日：2019-09-05

  The present invention provides compounds of Formula (I): or stereoisomers, tautomers, or pharmaceutically acceptable salts or solvates thereof, wherein all the variables are as defined herein. These compounds are antagonists to αv-containing integrins. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating a disease, disorder, or condition associated with dysregulation of αv-containing integrins, such as pathological fibrosis, transplant rejection, cancer, osteoporosis, and inflammatory disorders, by using the compounds and pharmaceutical compositions.
• CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20210246136A1

  公开（公告）日：2021-08-12

  The present invention provides compounds of Formula (I): or stereoisomers, tautomers, or pharmaceutically acceptable salts or solvates thereof, wherein all the variables are as defined herein. These compounds are antagonists to αv-containing integrins. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating a disease, disorder, or condition associated with dysregulation of α v -containing integrins, such as pathological fibrosis, transplant rejection, cancer, osteoporosis, and inflammatory disorders, by using the compounds and pharmaceutical compositions.