9H-占吨-4-乙酸,7-甲基-9-羰基- | 117570-71-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 中文名称: 9H-占吨-4-乙酸,7-甲基-9-羰基-
• 英文名称: 7-methylxanthenone-4-acetic acid
• 英文别名: 2-(7-Methyl-9-oxoxanthen-4-yl)acetic acid
• CAS: 117570-71-5
• 化学式: C₁₆H₁₂O₄
• 分子量: 268.269
• InChiKey: KOLGSJGBHAKOOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (2-hydroxyphenyl)acetic acid disodium salt 在 硫酸 、 三(3,6-二氧杂庚基)胺 、 copper(l) chloride 作用下， 以 1,4-二氧六环 为溶剂， 反应 5.0h， 生成 9H-占吨-4-乙酸,7-甲基-9-羰基-
  参考文献：
  名称：

  Potential antitumor agents. 58. Synthesis and structure-activity relationships of substituted xanthenone-4-acetic acids active against the colon 38 tumor in vivo

  摘要：

  In a search for compounds related to flavoneacetic acid with activity against solid tumors, a series of methyl-, methoxy-, chloro-, nitro-, and hydroxy-substituted xanthenone-4-acetic acids have been synthesized and evaluated against subcutaneously implanted colon adenocarcinoma 38 in vivo, using a short-term histology assay as a primary screening system. A major goal of this work was to identify compounds with similar profiles of activity to that of flavoneacetic acid but of higher potency. The level of activity of the compounds appeared to depend more on the nature of the substituent than its positioning, in the order Cl greater than Me, OMe greater than NO2, OH. However, the potency of the compounds was related much more to the position rather than the nature of the substitution, with 5-substituted compounds being clearly the most dose potent. 5-Methylxanthenone-4-acetic acid has a similar level of activity to that of flavoneacetic acid in the test systems employed but is more than 7-fold as dose potent.

  DOI：

  10.1021/jm00124a012

文献信息

• [EN] BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF<br/>[FR] CONJUGUÉS LIGANDS PEPTIDIQUES BICYCLIQUES ET LEURS UTILISATIONS
  申请人：BICYCLERD LTD

  公开号：WO2019034866A1

  公开（公告）日：2019-02-21

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用方法。
• [EN] BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF<br/>[FR] CONJUGUÉS PEPTIDE-LIGAND BICYCLIQUE ET LEURS UTILISATIONS
  申请人：BICYCLETX LTD

  公开号：WO2020165600A1

  公开（公告）日：2020-08-20

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用方法。
• Compounds having antitumour and antibacterial properties
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0278176B1

  公开（公告）日：1994-03-09
• REWCASTLE, GORDON W.;ATWELL, GRAHAM J.;BAGULEY, BRUCE C.;CALVELEY, STEPHE+, J. MED. CHEM., 32,(1989) N, C. 793-799
  作者：REWCASTLE, GORDON W.、ATWELL, GRAHAM J.、BAGULEY, BRUCE C.、CALVELEY, STEPHE+

  DOI：——

  日期：——
• BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF
  申请人：BicycleRD Limited

  公开号：US20200291096A1

  公开（公告）日：2020-09-17

  The present invention provides compounds, compositions thereof, and methods of using the same.