2,3-dihydronimbolide

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2,3-dihydronimbolide
• 英文别名: Methyl 2-[(1R,2S,4R,6R,9R,10S,11R,15R,18R)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12,16-dioxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-10-yl]acetate
• 化学式: C₂₇H₃₂O₇
• 分子量: 468.547
• InChiKey: IVORRUXZODBSHC-LSYMHUITSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  92
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  印苦楝内酯 在 sodium tetrahydroborate 、 nickel(II) chloride hexahydrate 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 2,3-dihydronimbolide
  参考文献：
  名称：

  NIMBOLIDE ANALOGS AS ANTI-CANCER AGENTS AND PREPARATION THEREOF

  摘要：

  本发明涉及作为抗癌剂和其制备方法有用的尼莫利特类似物。特别是本发明涉及一般式I的尼莫利特类似物，其中，环M是从取代或未取代的芳基、杂芳基、环烷基和杂环中选择的任何环；A和B是从C、O、N、S和H组成的群体中选择的；R1、R2、R3、R4、R5和R6是从C1-C6烷基、芳基、杂芳基、C1-C7环烷基、杂烷基、氢、羟基、烷氧基、硝基、卤素、氨基、烷基氨基、芳基氨基和氰基组成的群体中选择的；其中这些群体中的每个都可以进一步取代为从氢、羟基、卤素、氰基、烷基氨基、芳基氨基、烷氧基、氨基、硝基、醛基、羧酸和酯中选择的一个或多个取代基。

  公开号：

  US20190211027A1

文献信息

• NIMBOLIDE ANALOGS AS ANTI-CANCER AGENTS AND PREPARATION THEREOF
  申请人：Council of Scientific & Industrial Research

  公开号：US20190211027A1

  公开（公告）日：2019-07-11

  The present invention relates to nimbolide analogs useful as anti-cancer agents and preparation thereof. Particularly the present invention relates to nimbolide analogs of general formula I. wherein, ring M is any ring selected from the group consisting of substituted or unsubstituted aryl, heteroaryl, cycloalkyl and heterocyclic; A and B are selected from the group consisting of C, O, N, S and H; R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are selected from the group consisting of C1-C6 alkyl, aryl, heteroaryl, C1-C7 cycloalkyl, heteroalkyl, hydrogen, hydroxy, alkoxy, nitro, halogen, amino, alkylamino, aryl amino and cyano; wherein each of these groups may be further substituted with one or more substituents selected from the group consisting of hydrogen, hydroxy, halogen, cyano, alkyl amino, aryl amino, alkoxy, amino, nitro, aldehyde, carboxylic acid and ester.

  本发明涉及作为抗癌剂和其制备方法有用的尼莫利特类似物。特别是本发明涉及一般式I的尼莫利特类似物，其中，环M是从取代或未取代的芳基、杂芳基、环烷基和杂环中选择的任何环；A和B是从C、O、N、S和H组成的群体中选择的；R1、R2、R3、R4、R5和R6是从C1-C6烷基、芳基、杂芳基、C1-C7环烷基、杂烷基、氢、羟基、烷氧基、硝基、卤素、氨基、烷基氨基、芳基氨基和氰基组成的群体中选择的；其中这些群体中的每个都可以进一步取代为从氢、羟基、卤素、氰基、烷基氨基、芳基氨基、烷氧基、氨基、硝基、醛基、羧酸和酯中选择的一个或多个取代基。
• COVALENT TARGETING OF E3 LIGASES
  申请人：The Regents of the University of California

  公开号：US20210369731A1

  公开（公告）日：2021-12-02

  Disclosed herein, inter alia, are compositions and methods for targeting E3 ligases. In an aspect is a targeted protein degrader including 1) a targeted protein binder and 2) an E3 Ubiquitin ligase binder, wherein the E3 Ubiquitin ligase is human RNF4 or human RNF114. In an aspect is provided a pharmaceutical composition including a compound as described herein, including embodiments, and a pharmaceutically acceptable excipient.
• [EN] NIMBOLIDE ANALOGS AND METHODS OF USE THEREOF<br/>[FR] ANALOGUES DE NIMBOLIDE ET LEURS MÉTHODES D'UTILISATION
  申请人：[en]THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

  公开号：WO2022150667A1

  公开（公告）日：2022-07-14

  Disclosed herein are compounds of the formula (I) or (II) wherein the variables are defined herein. Also provided are methods of manufacturing and pharmaceutical compositions thereof. In some aspects, the compounds and compositions provided herein may be used as PARP1 inhibitors. In some aspects, the present disclosure provides methods wherein the compounds and compositions described herein are used for the treatment of diseases and disorders, such as cancer.