2,2-Dimethyl-3,4,4a,10b-tetrahydrobenzo[h]chromene-5,6-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: 2,2-Dimethyl-3,4,4a,10b-tetrahydrobenzo[h]chromene-5,6-dione
• 化学式: C₁₅H₁₆O₃
• 分子量: 244.28
• InChiKey: FGGFBHJNRSCDBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• CHEMICALLY ACTIVATED WATER-SOLUBLE PRODRUG
  申请人：SUMITOMO DAINIPPON PHARMA CO., LTD

  公开号：US20200207782A1

  公开（公告）日：2020-07-02

  The present invention addresses the problem of providing a novel chemically activated water-soluble prodrug. The present invention provides a compound represented by formula (1), or a pharmacologically acceptable salt thereof (in the formula, A represents A-0; X 1 and X 2 are the same as or different from each other and each independently represent a hydroxyl group or —O—C(═O)—Y—(C(R 1A ) (R 1B ))n-NH—R 2 , where X 1 and X 2 are not simultaneously hydroxyl groups, n is 2, 3, or 4, Y represents an oxygen atom or —NR 4 , R 1A and R 1B are the same as or different from each other and each independently represent a hydrogen atom, etc., and R 2 represents a hydrogen atom, etc.; and R a to R d are optionally present, are the same as or different from each other, and each independently represent a hydrogen atom, etc.).

  本发明解决了提供一种新型化学活化的水溶性前药的问题。本发明提供了由式（1）表示的化合物，或其药理学上可接受的盐（在该式中，A代表A-0；X1和X2彼此相同或不同，每个独立地代表一个羟基或—O—C(═O)—Y—(C(R1A)(R1B))n-NH—R2，其中X1和X2不同时是羟基，n为2、3或4，Y代表氧原子或—NR4，R1A和R1B彼此相同或不同，每个独立地代表氢原子等，R2代表氢原子等；以及Ra到Rd可选地存在，彼此相同或不同，每个独立地代表氢原子等）。
• Isoflavonoid Analogs and their Metal Conjugates as Anti-Cancer Agents
  申请人：Fazlul Sarkar

  公开号：US20100160268A1

  公开（公告）日：2010-06-24

  A pharmacologic agent for treating and/or preventing cancer, among other diseases and conditions, and particularly breast, prostate, and pancreatic cancer, in humans and animals. The novel pharmacologic agent is an isoflavonoid or isoflavonoid mimetic covalently attached to a cytotoxic pharmacophore that, preferably has the ability to conjugate with a metal salt to form a more potent metal complex, particularly a Cu(II) complex. The isoflavonoid or isoflavonoid mimetic may he non-fragmented steroidal hormone, such as progesterone which is structurally related to the isoflavone genistein, or a small molecule hormone mimetic, such as chromone. An illustrative non-fragmented steroidal embodiment is 17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,13,14,15, 16,17-tetradecahydrocyclopenta[a]phenanthren-3-thiosemicarbazone and its Cu(II) complex. Effective chromone analogs include the thiosemicarbazone and hydrazone analogs of 4-oxo-4H-chromene-3-carboxaldehyde and their Cu(IT) complexes.
• PDK4 INHIBITOR AND USE THEREOF
  申请人：THE KITASATO INSTITUTE

  公开号：US20150335610A1

  公开（公告）日：2015-11-26

  The purpose of the present invention is to provide a therapeutic agent or preventive agent for exacerbation of influenza, specifically to provide a novel pyruvate dehydrogenase kinase 4 (PDK4) inhibitor. The present invention relates to a PDK4 inhibitor, medical composition or cosmetic composition containing as the active ingredient a compound represented by any one of the following general formulas (I) through (III) and a pharmaceutically acceptable ester derivative thereof, or a pharmaceutically acceptable salt of the same.