4-Methoxy-4-methyl-1-(1-naphthyl)-2-pentyn-1-one | 132608-89-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-Methoxy-4-methyl-1-(1-naphthyl)-2-pentyn-1-one
• 英文别名: 4-methoxy-4-methyl-1-naphthalen-1-ylpent-2-yn-1-one
• CAS: 132608-89-0
• 化学式: C₁₇H₁₆O₂
• 分子量: 252.313
• InChiKey: ANYCMKVVFXZBSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-Methoxy-4-methyl-1-(1-naphthyl)-2-pentyn-1-one 、 盐酸胍 、 sodium ethanolate 、 乙醇 以80%的产率得到
  参考文献：
  名称：

  ZAGULYAEVA, O. A.;ZANINA, A. S.;SHERGINA, S. I.;SOKOLOV, I. E.;MAMAEV, V.+, IZV. CO AN CCCP. XIM. N.,(1990) N, S. 27-32

  摘要：

  DOI：
• 作为产物：
  描述：

  3-甲氧基-3-甲基丁-1-炔 、 1-萘甲酰氯 在 三乙胺 、 copper(l) chloride 作用下， 以 苯 为溶剂， 反应 11.0h， 以81.3%的产率得到4-Methoxy-4-methyl-1-(1-naphthyl)-2-pentyn-1-one
  参考文献：
  名称：

  Synthesis of acetylenic ketones

  摘要：

  A general preparative method of synthesis of acetylenic ketones was developed based on acylation of terminal acetylenes with acid chlorides in the presence of Cu(I) chloride.

  DOI：

  10.1007/bf00958843

文献信息

• Small molecule ferroptosis inducers
  申请人：THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

  公开号：US10947188B2

  公开（公告）日：2021-03-16

  The present invention provides, inter alia, a compound according to formula (I): Also provided are compositions containing a pharmaceutically acceptable carrier and a compound according to the present invention. Further provided are methods for regulating GPX4 in a cell and methods for inducing ferroptosis in a cell.

  本发明特别提供了一种符合式 (I) 的化合物： 还提供了含有药学上可接受的载体和根据本发明的化合物的组合物。此外，还提供了调节细胞中 GPX4 的方法和诱导细胞中铁细胞凋亡的方法。
• ANTIMICROBIAL AGENTS AND SCREENING METHODS
  申请人：PRESIDENT AND FELLOWS OF HARVARD COLLEGE

  公开号：US20170173008A1

  公开（公告）日：2017-06-22

  Disclosed herein are antibacterial and antimicrobial compositions and methods of use. Also disclosed are screening assays for identification of an agent that specifically inhibits DsbB or bVKOR. Such methods are useful, for example, in identifying antibacterial and antimicrobial agents and compositions.
• SMALL MOLECULE FERROPTOSIS INDUCERS
  申请人：THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

  公开号：US20190315681A1

  公开（公告）日：2019-10-17

  The present invention provides, inter alia, a compound according to formula (I): Also provided are compositions containing a pharmaceutically acceptable carrier and a compound according to the present invention. Further provided are methods for regulating GPX4 in a cell and methods for inducing ferroptosis in a cell.
• Synthesis of acetylenic ketones
  作者：A. S. Zanina、S. I. Shergina、I. E. Sokolov、I. L. Kotlyarevskii

  DOI：10.1007/bf00958843

  日期：1990.11

  A general preparative method of synthesis of acetylenic ketones was developed based on acylation of terminal acetylenes with acid chlorides in the presence of Cu(I) chloride.
• ZAGULYAEVA, O. A.;ZANINA, A. S.;SHERGINA, S. I.;SOKOLOV, I. E.;MAMAEV, V.+, IZV. CO AN CCCP. XIM. N.,(1990) N, S. 27-32
  作者：ZAGULYAEVA, O. A.、ZANINA, A. S.、SHERGINA, S. I.、SOKOLOV, I. E.、MAMAEV, V.+

  DOI：——

  日期：——