4,9-dioxy-2-(trifluoromethyl)-4,9-dihydronaphtho[2,3-b]furan-3-carboxylic acid ethyl ester

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并呋喃类
• 英文名称: 4,9-dioxy-2-(trifluoromethyl)-4,9-dihydronaphtho[2,3-b]furan-3-carboxylic acid ethyl ester
• 英文别名: ethyl 4,9-dioxo-2-(trifluoromethyl)-4,9-dihydronaphtho[2,3-b]furan-3-carboxylate；Ethyl 4,9-dioxo-2-(trifluoromethyl)benzo[f][1]benzofuran-3-carboxylate
• 化学式: C₁₆H₉F₃O₅
• 分子量: 338.24
• InChiKey: OMXJJRPYECNRPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  73.6
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4,9-dioxy-2-(trifluoromethyl)-4,9-dihydronaphtho[2,3-b]furan-3-carboxylic acid ethyl ester 在 4-二甲氨基吡啶 、 N,N,N',N'-tetramethyl-O-(1H-benzotriazol-1-yl)uronium hexafluorophosphate 、 水 、 lithium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-(3-(1H-imidazol-1-yl)propyl)-4,9-dioxo-2-(trifluoromethyl)-4,9-dihydronaphtho[2,3-b]furan-3-carboxamide
  参考文献：
  名称：

  [EN] 4,9-DIOXO-4,9-DIHYDRONAPHTHO(2,3-B)FURAN-3-CARBOXAMIDE DERIVATIVES AND USES THEREOF FOR TREATING PROLIFERATIVE DISEASES AND INFECTIOUS DISEASES
  [FR] DÉRIVÉS DE 4,9-DIOXO 4,9-DIHYDRONAPHTO(2,3-B) FURAN-3-CARBOXAMIDE ET LEURS UTILISATIONS POUR LE TRAITEMENT DE MALADIES PROLIFÉRATIVES ET DE MALADIES INFECTIEUSES

  摘要：

  公开号：

  WO2017151625A8
• 作为产物：
  描述：

  2-羟基-1,4-萘醌 在 三乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 生成 4,9-dioxy-2-(trifluoromethyl)-4,9-dihydronaphtho[2,3-b]furan-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  [EN] 4,9-DIOXO-4,9-DIHYDRONAPHTHO(2,3-B)FURAN-3-CARBOXAMIDE DERIVATIVES AND USES THEREOF FOR TREATING PROLIFERATIVE DISEASES AND INFECTIOUS DISEASES
  [FR] DÉRIVÉS DE 4,9-DIOXO 4,9-DIHYDRONAPHTO(2,3-B) FURAN-3-CARBOXAMIDE ET LEURS UTILISATIONS POUR LE TRAITEMENT DE MALADIES PROLIFÉRATIVES ET DE MALADIES INFECTIEUSES

  摘要：

  公开号：

  WO2017151625A8

文献信息

• 3-substituted carbonyl-naphtho[2,3-B]furane derivative or pharmaceutically acceptable salt thereof
  申请人：Boston Biomedical, Inc.

  公开号：US10017488B2

  公开（公告）日：2018-07-10

  The present invention provides a compound of the following Formula (1) or a pharmaceutically acceptable salt thereof: wherein X is an oxygen atom and the like; Y is —CO—, —SO2— and the like; R1 is an optionally-substituted C1-6 alkyl group, an optionally-substituted C1-6 alkylcarbonyl group and the like; R2 is an optionally-substituted C1-6 alkyl group, an optionally-substituted C1-6 alkoxy group, an optionally-substituted amino group, an optionally-substituted 5- to 12-membered monocyclic or polycyclic saturated heterocyclic group and the like; R3, R4, R5, and R6 are independently a hydrogen atom and the like which exhibits excellent effects in suppressing the proliferation and sphere-forming ability of cancer cells, and can be useful as an antitumor drug or cell growth inhibitor.

  本发明提供了下式（1）的化合物或其药学上可接受的盐： 其中 X 是氧原子等；Y 是 -CO-、-SO2- 等；R1 是任选取代的 C1-6 烷基、任选取代的 C1-6 烷基羰基等；R2 是任选取代的 C1-6 烷基、任选取代的 C1-6 烷氧基、任选取代的氨基、任选取代的 5 至 12 元单环或多环饱和杂环基等；R3、R4、R5 和 R6 独立地为氢原子等，在抑制癌细胞增殖和癌细胞球形成能力方面具有优异的效果，可用作抗肿瘤药物或细胞生长抑制剂。
• Heterocycle-substituted bicyclic azole pesticides
  申请人：FMC CORPORATION

  公开号：US10822351B2

  公开（公告）日：2020-11-03

  Disclosed are compounds of Formula 1, including all geometric and stereoisomers, N-oxides, and salts thereof, wherein Q is and A, R1, m, X1, X2, X3, X4, Y1, Y2 and Y3 are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling an invertebrate pest comprising contacting the invertebrate pest or its environment with a biologically effective amount of a compound or a composition of the invention.

  公开的是式 1 的化合物，包括所有几何异构体和立体异构体、N-氧化物及其盐类、 其中 Q 是 和 A、R1、m、X1、X2、X3、X4、Y1、Y2 和 Y3 如公开内容中所定义。还公开了含有式 1 化合物的组合物和控制无脊椎害虫的方法，该方法包括将生物有效量的本发明化合物或组合物与无脊椎害虫或其环境接触。
• 4,9-dioxo-4,9-dihydronaphtho[2,3-b]furan-3-carboxamide derivatives and uses thereof for treating proliferative diseases and infectious diseases
  申请人：Academia Sinica

  公开号：US11434229B2

  公开（公告）日：2022-09-06

  The present disclosure provides compounds of Formulas (I), (II), and pharmaceutically acceptable salts thereof. The compounds described herein are useful in treating proliferative diseases, for example, cancer (e.g., lung cancer), and infectious diseases (e.g., bacterial infections).

  本公开提供了式(I)、(II)化合物及其药学上可接受的盐类。本文所述化合物可用于治疗增殖性疾病，例如癌症（如肺癌）和传染性疾病（如细菌感染）。
• 3-SUBSTITUTED CARBONYL-NAPHTHO[2,3-B]FURANE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF
  申请人：Boston Biomedical, Inc.

  公开号：US20170174646A1

  公开（公告）日：2017-06-22

  The present invention provides a compound of the following Formula (1) or a pharmaceutically acceptable salt thereof: wherein X is an oxygen atom and the like; Y is —CO—, —SO 2 — and the like; R 1 is an optionally-substituted C 1-6 alkyl group, an optionally-substituted C 1-6 alkylcarbonyl group and the like; R 2 is an optionally-substituted C 1-6 alkyl group, an optionally-substituted C 1-6 alkoxy group, an optionally-substituted amino group, an optionally-substituted 5- to 12-membered monocyclic or polycyclic saturated heterocyclic group and the like; R 3 , R 4 , R 5 , and R 6 are independently a hydrogen atom and the like which exhibits excellent effects in suppressing the proliferation and sphere-forming ability of cancer cells, and can be useful as an antitumor drug or cell growth inhibitor.
• HETEROCYCLE-SUBSTITUTED BICYCLIC AZOLE PESTICIDES
  申请人：E I DU PONT DE NEMOURS AND COMPANY

  公开号：US20170174707A1

  公开（公告）日：2017-06-22

  Disclosed are compounds of Formula 1, including all geometric and stereoisomers, N-oxides, and salts thereof, wherein Q is and A, R 1 , m, X 1 , X 2 , X 3 , X 4 , Y 1 , Y 2 and Y 3 are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling an invertebrate pest comprising contacting the invertebrate pest or its environment with a biologically effective amount of a compound or a composition of the invention.