3-[5-(5-chloro-3-hydroxy-2-oxo-1H-indol-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid | 1430195-08-6

• 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: 3-[5-(5-chloro-3-hydroxy-2-oxo-1H-indol-3-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
• CAS: 1430195-08-6
• 化学式: C₁₄H₁₁ClN₂O₅S₂
• 分子量: 386.837
• InChiKey: GLCUIDNTJSLMPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  164
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  绕丹宁-3-丙酸 、 靛红 以 氘代二甲亚砜 为溶剂， 反应 24.0h， 以67%的产率得到(Z)-3-(5-(5-chloro-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
  参考文献：
  名称：

  Room temperature catalyst-free Knoevenagel condensation: facile access to isatinylidenerhodanines

  摘要：

  A catalyst-free Knoevenagel type synthesis of isatinylidenerhodanines is reported starting from substituted isatins and rhodanines. The reaction proceeds spontaneously at room temperature in dimethyl sulfoxide (DMSO), employing a unique macrocyclic intermediate formed through an intramolecular H-bonding. Various substituted isatinylidenerhodanines could be synthesized in good yields. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.01.069

文献信息

• B CELL LYMPHOMA 6 PROTEIN (BCL6) AS A TARGET FOR TREATING DIABETES MELLITUS AND NON-ALCOHOLIC FATTY LIVER DISEASE
  申请人：NORTHWESTERN UNIVERSITY

  公开号：US20210030740A1

  公开（公告）日：2021-02-04

  Disclosed are methods and compositions for treating diabetes mellitus and non-alcoholic fatty liver disease by administering a therapeutic agent that inhibits the biological activity of B cell lymphoma 6 protein (BCL6).
• Room temperature catalyst-free Knoevenagel condensation: facile access to isatinylidenerhodanines
  作者：Fengtian Xue、Alexander D. MacKerell、Geoffrey Heinzl、Kellie Hom

  DOI：10.1016/j.tetlet.2013.01.069

  日期：2013.3

  A catalyst-free Knoevenagel type synthesis of isatinylidenerhodanines is reported starting from substituted isatins and rhodanines. The reaction proceeds spontaneously at room temperature in dimethyl sulfoxide (DMSO), employing a unique macrocyclic intermediate formed through an intramolecular H-bonding. Various substituted isatinylidenerhodanines could be synthesized in good yields. (c) 2013 Elsevier Ltd. All rights reserved.