(Z)-2-diethoxycarbonyl-3-(indol-3'-yl-ethyl)aminomethylene-benzochroman-4-one | 1432594-85-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (Z)-2-diethoxycarbonyl-3-(indol-3'-yl-ethyl)aminomethylene-benzochroman-4-one
• 英文别名: (Z)-2-[(diethoxycarbonyl)methyl]-3-[(indol-3-yl-ethyl)aminomethylene]chroman-4-one；diethyl 2-[(3Z)-3-[[2-(1H-indol-3-yl)ethylamino]methylidene]-4-oxochromen-2-yl]propanedioate
• CAS: 1432594-85-8
• 化学式: C₂₇H₂₈N₂O₆
• 分子量: 476.529
• InChiKey: CNSOLIRELBFQQL-CAPFRKAQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  35
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2'-羟基苯乙酮 在 乙酸酐 、 potassium carbonate 、 三氯氧磷 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 (Z)-2-diethoxycarbonyl-3-(indol-3'-yl-ethyl)aminomethylene-benzochroman-4-one 、 ethyl 1-(2-(1H-indol-3-yl)ethyl)-5-(2-hydroxybenzoyl)-2-oxo-1,2-dihydropyridine-3-carboxylate
  参考文献：
  名称：

  [EN] COMPOUNDS AND METHODS FOR INHIBITING EMT PATHWAYS TO TREAT CANCER, ORGAN FIBROSIS AND METABOLIC DISORDERS
  [FR] COMPOSÉS ET PROCÉDÉS POUR INHIBER LES VOIES EMT POUR TRAITER LE CANCER, LA FIBROSE D'ORGANE ET LES TROUBLES MÉTABOLIQUES

  摘要：

  化合物，或其药用可接受的盐或异构体，其化学式为I：其中R为氢、烷基、取代烷基、烯基或取代烯基；R1为氢、烷氧基或取代烷氧基；R2为氢、烷基或取代烷基；R3为氢、烷基或取代烷基。

  公开号：

  WO2018156459A1

文献信息

• Compounds and methods for inhibiting EMT pathways to treat cancer, organ fibrosis and metabolic disorders
  申请人：University of Pittsburgh—Of the Commonwealth System of Higher Education

  公开号：US11078159B2

  公开（公告）日：2021-08-03

  A compound, or a pharmaceutically acceptable salt or isomer thereof, of Formula I: wherein R is hydrogen, alkyl, substituted alkyl, alkenyl, or substituted alkenyl; R1 is hydrogen, alkoxy, or substituted alkoxy; R2 is hydrogen, alkyl, or substituted alkyl; and R3 is hydrogen, alkyl, or substituted alkyl.

  式 I 的化合物或其药学上可接受的盐或异构体： 其中 R 是氢、烷基、取代烷基、烯基或取代烯基； R1 是氢、烷氧基或取代的烷氧基 R2 是氢、烷基或取代烷基；和 R3 是氢、烷基或取代的烷基。
• A versatile domino process for the synthesis of substituted 3-aminomethylene-chromanones and 2-pyridones catalyzed by CsF
  作者：Catalin Pintiala、Ata Martin Lawson、Sébastien Comesse、Adam Daïch

  DOI：10.1016/j.tetlet.2013.03.096

  日期：2013.5

  The addition of various primary amines onto 3-alpha,beta-unsaturated diester chromone derivative was studied under mild conditions. Basically, this reaction provided 2-pyridone-based compounds through an interesting domino 'Addition/Ring Opening/Ring Closure' process (ARORC). In this study, aniline and tryptamine series exhibited different reactivity profiles leading unexpectedly to 3-aminomethylene chromanones with or without the 2-pyridone derivatives. This constitutes the first description and study of 3-aminomethylene chromanone formation that is supposed to follow a domino process combining 'Addition/Ring Opening/Ring Closure by Oxa-Michael addition' (ARORCOM). (C) 2013 Elsevier Ltd. All rights reserved.
• COMPOUNDS AND METHODS FOR INHIBITING EMT PATHWAYS TO TREAT CANCER, ORGAN FIBROSIS AND METABOLIC DISORDERS
  申请人：University of Pittsburgh - Of the Commonwealth System of Higher Education

  公开号：US20220017466A1

  公开（公告）日：2022-01-20

  A compound, or a pharmaceutically acceptable salt or isomer thereof, of Formula I: wherein R is hydrogen, alkyl, substituted alkyl, alkenyl, or substituted alkenyl; R 1 is hydrogen, alkoxy, or substituted alkoxy; R 2 is hydrogen, alkyl, or substituted alkyl; and R 3 is hydrogen, alkyl, or substituted alkyl.
• [EN] COMPOUNDS AND METHODS FOR INHIBITING EMT PATHWAYS TO TREAT CANCER, ORGAN FIBROSIS AND METABOLIC DISORDERS<br/>[FR] COMPOSÉS ET PROCÉDÉS POUR INHIBER LES VOIES EMT POUR TRAITER LE CANCER, LA FIBROSE D'ORGANE ET LES TROUBLES MÉTABOLIQUES
  申请人：UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION

  公开号：WO2018156459A1

  公开（公告）日：2018-08-30

  A compound, or a pharmaceutically acceptable salt or isomer thereof, of Formula I: wherein R is hydrogen, alkyl, substituted alkyl, alkenyl, or substituted alkenyl; R1 is hydrogen, alkoxy, or substituted alkoxy; R2 is hydrogen, alkyl, or substituted alkyl; and R3 is hydrogen, alkyl, or substituted alkyl.

  化合物，或其药用可接受的盐或异构体，其化学式为I：其中R为氢、烷基、取代烷基、烯基或取代烯基；R1为氢、烷氧基或取代烷氧基；R2为氢、烷基或取代烷基；R3为氢、烷基或取代烷基。