(Z)-3-(5-(5-chloro-7-methyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid | 1426138-48-8

• 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)-3-(5-(5-chloro-7-methyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
• 英文别名: 3-[(5Z)-5-(5-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
• CAS: 1426138-48-8
• 化学式: C₁₅H₁₁ClN₂O₄S₂
• 分子量: 382.848
• InChiKey: SMHXCTULWHMSNV-BENRWUELSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.65
• 重原子数：
  24.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  86.71
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  绕丹宁-3-丙酸 、 5-氯-7-甲基靛红 以 氘代二甲亚砜 为溶剂， 生成 (Z)-3-(5-(5-chloro-7-methyl-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

• BCL6 INHIBITORS AS ANTICANCER AGENTS
  申请人：Cornell University

  公开号：US20160166549A1

  公开（公告）日：2016-06-16

  The invention provides compositions and methods for blocking the BCL6 BTB domain with small molecule, non-peptide compounds as disclosed and claimed herein. BCL6 is a transcriptional repressor of the BTB-POZ (brie a brae, tramtrack, broad complex/pox virus zincfinger) family of proteins. It is required for normal development of germinal center (GC) B-cells and is also the most commonly involvedoncogene in diffuse large B-celllymphomas (DLBCLs), and constitutive expression of BCL6 in GC B-cells causes DLBCL in mice.

  本发明提供了一种使用小分子非肽化合物阻断BCL6 BTB结构域的组合物和方法，如本文所述和索要的。BCL6是BTB-POZ（brie a brae，tramtrack，broad complex/pox virus zincfinger）蛋白家族的转录抑制因子。它是生殖中心（GC）B细胞正常发育所必需的，并且也是弥漫性大B细胞淋巴瘤（DLBCLs）中最常涉及的癌基因，GC B细胞中的BCL6的构成表达会导致小鼠DLBCL。
• 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).
• US9943506B2
  申请人：——

  公开号：US9943506B2

  公开（公告）日：2018-04-17
• [EN] BCL6 INHIBITORS AS ANTICANCER AGENTS<br/>[FR] INHIBITEURS DE BCL6 UTILISABLES EN TANT QU'AGENTS ANTICANCÉREUX
  申请人：MELNICK ARI

  公开号：WO2014204859A2

  公开（公告）日：2014-12-24

  The invention provides compositions and methods for blocking the BCL6 BTB domain with small molecule, non-peptide compounds as disclosed and claimed herein. BCL6 is a transcriptional repressor of the BTB-POZ (bric a brac, tramtrack, broad complex / pox virus zinc finger) family of proteins. It is required for normal development of germinal center (GC) B-cells and is also the most commonly involved oncogene in diffuse large B-cell lymphomas (DLBCLs), and constitutive expression of BCL6 in GC B-cells causes DLBCL in mice. DLBCLs are aggressive tumors that arise from germinal center (GC) B- cells and are the most common form of non-Hodgkin's lymphomas. BCL6 is required for survival of DLBCL cells and can limit their ability to respond to DNA damaging agents. It is also frequently expressed in follicular lymphomas (FLs), and may be required for survival of these tumors as well. DLBCL and FL collectively constitute ∼60-70% of B-cell lymphomas and the incidence of these tumors has been rising in recent decades.
• 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.