3,3-dimethyl-12-(thiophen-2-yl)-2,3,4,12-tetrahydrobenzo[b]xanthene-1,6,11-trione | 1446350-80-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: 3,3-dimethyl-12-(thiophen-2-yl)-2,3,4,12-tetrahydrobenzo[b]xanthene-1,6,11-trione
• 英文别名: 3,3-dimethyl-12-(thiophen-2-yl)-3,4-dihydro-1H-benzo[b]xanthene-1,6,11(2H,12H)-trione；3,4-dihydro-3,3-dimethyl-12-thienyl-1H-benzo[b]xanthene-1,6,11-(2H,12H)trione；3,3-dimethyl-12-thiophen-2-yl-4,12-dihydro-2H-benzo[b]xanthene-1,6,11-trione
• CAS: 1446350-80-6
• 化学式: C₂₃H₁₈O₄S
• 分子量: 390.46
• InChiKey: PFLDZJVISALRAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  28
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  88.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-噻吩甲醛 、 2-羟基-1,4-萘醌 、 3-(二甲氨基)-5,5-二甲基-2-环己烯-1-酮 以 乙腈 为溶剂， 以16%的产率得到3,3-dimethyl-12-(thiophen-2-yl)-2,3,4,12-tetrahydrobenzo[b]xanthene-1,6,11-trione
  参考文献：
  名称：

  Fused quinonic compounds

  摘要：

  具有公式(I)的化合物： 用于治疗疾病；包含所述公式(I)的融合醌类化合物和至少一种药物可接受的载体的组合物；以及一种调节Janus激酶-信号转导和转录激活因子(JAK-STAT)通路的方法。JAK-STAT通路的激活与多种疾病状态有关，如免疫性和炎症性疾病、包括癌症在内的过度增殖障碍以及骨髓增殖性疾病。

  公开号：

  EP2690094A1

文献信息

• Fused quinonic compounds
  申请人：Centro Atlantico del Medicamento S.A (Ceamed, S.A)

  公开号：EP2690094A1

  公开（公告）日：2014-01-29

  A compound having the formula (I): for use in treating disease; a composition comprising said fused quinonic compound of formula (I) and at least one pharmaceutically acceptable carrier; as well as a method of modulating a Janus Kinase-Signal Transduction and Activators of Transcription (JAK-STAT) pathway. The activation of a JAK-STAT pathway is associated with several disease states such as immunological and inflammatory diseases, hyperproliferative disorders including cancer, and myeloproliferative diseases.

  具有公式(I)的化合物： 用于治疗疾病；包含所述公式(I)的融合醌类化合物和至少一种药物可接受的载体的组合物；以及一种调节Janus激酶-信号转导和转录激活因子(JAK-STAT)通路的方法。JAK-STAT通路的激活与多种疾病状态有关，如免疫性和炎症性疾病、包括癌症在内的过度增殖障碍以及骨髓增殖性疾病。
• Efficient and Green Syntheses of 12-Aryl-2,3,4,12-tetrahydrobenzo[<i>b</i>]xanthene-1,6,11-triones in Water and Task-Specific Ionic Liquid
  作者：Jitender M. Khurana、Anshika Lumb、Ankita Chaudhary、Bhaskara Nand

  DOI：10.1080/00397911.2012.688230

  日期：2013.8.18

  Abstract Facile and convenient one-pot cascade/tandem approaches for the syntheses of privileged medicinal scaffolds, 12-aryl-2,3,4,12-tetrahydrobenzo[b]xanthene-1,6,11-trione derivatives, have been reported under extremely mild reaction conditions using a catalytic amount of H2SO4 in water or in the presence of the acidic ionic liquid bmim[HSO4], which could be recycled. Supplemental materials are

  摘要 用于合成特殊药用支架 12-芳基-2,3,4,12-四氢苯并[b]呫吨-1,6,11-三酮衍生物的简便的一锅级联/串联方法已被报道在使用催化量的 H2SO4 在水中或在酸性离子液体 bmim[HSO4] 存在下，可循环使用的极其温和的反应条件。补充材料可用于本文。转至出版商的 Synthetic Communications® 在线版以查看免费的补充文件。图形概要
• Novel benzo[<i>b</i>]xanthene derivatives: Bismuth(III) triflate‐catalyzed one‐pot synthesis, characterization, and acetylcholinesterase, glutathione S‐transferase, and butyrylcholinesterase inhibitory properties
  作者：Kadir Turhan、Begüm Pektaş、Fikret Türkan、Fatma T. Tuğcu、Zuhal Turgut、Parham Taslimi、Halide S. Karaman、Ilhami Gulcin

  DOI：10.1002/ardp.202000030

  日期：2020.8

  the benzo[b]xanthene derivatives on AChE, BChE, and GST were found at the millimolar level. The best inhibitor for GST is compound 4a (31.18 ± 6.13 mM), for AChE, it is compound 4d (28.16 ± 3.46 mM), and for BChE, it is compound 4f (36.24 ± 3.19 mM). Compound 4a inhibited the dimerization of GST subunits, and compounds 4d and 4f directly inhibited the catalytic activity by interacting with the catalytic

  本研究通过各种取代芳香醛的一锅缩合反应得到 3,4-dihydro-12-aryl-1H-benzo[b]xanthene-1,6,11-(2H,12H)trione 化合物，2-羟基-1,4-萘醌和二甲酮在 Bi(OTf)3 存在下作为绿色可重复使用的催化剂。这些新型取代苯并 [b] 呫吨的结构表征是通过光谱方法进行的，并研究了它们对丁酰胆碱酯酶 (BChE)、乙酰胆碱酯酶 (AChE) 和谷胱甘肽 S-转移酶 (GST) 的抑制作用。GST 是一种酶，负责在解毒机制的第二阶段反应期间去除有毒分子。AChE 和 BChE 酶，称为胆碱酯酶，是特别在痴呆症（如脑损伤或阿尔茨海默病）期间发生的酶之一。苯并 [b] 呫吨衍生物对 AChE、BChE 和 GST 的抑制作用在毫摩尔水平。GST 的最佳抑制剂是化合物 4a (31.18 ± 6.13 mM)，对于 AChE，它是化合物 4d (28
• FUSED QUINONIC COMPOUNDS
  申请人：CENTRO ATLANTICO DEL MEDICAMENTO S.A (CEAMED, S.A.)

  公开号：US20150175585A1

  公开（公告）日：2015-06-25

  A compound having the formula (I): for use in treating a disease; a composition comprising said fused quinonic compound of formula (I) and at least one pharmaceutically acceptable carrier; as well as a method of modulating a Janus Kinase-Signal Transduction and Activators of Transcription (JAK-STAT) pathway. The activation of a JAK and/or STAT pathways are associated with several disease states such as immunological and inflammatory diseases, hyperproliferative disorders including cancer, and myeloproliferative diseases.

  一种具有公式（I）的化合物，用于治疗疾病；包含公式（I）的融合喹啉化合物和至少一种药用载体的组合物；以及一种调节Janus激酶-信号转导和转录激活因子（JAK-STAT）通路的方法。激活JAK和/或STAT通路与多种疾病状态相关，包括免疫和炎症性疾病、增生性疾病（包括癌症）和骨髓增生性疾病。
• [EN] FUSED QUINONIC COMPOUNDS<br/>[FR] COMPOSÉS QUINONIQUES FUSIONNÉS
  申请人：CT ATLANTICO DEL MEDICAMENTO S A CEAMED S A

  公开号：WO2014016314A1

  公开（公告）日：2014-01-30

  A compound having the formula (I), for use in treating a disease; a composition comprising said fused quinonic compound of formula (I) and at least one pharmaceutically acceptable carrier; as well as a method of modulating a Janus Kinase-Signal Transduction and Activators of Transcription (JAK-STAT) pathway. The activation of a JAK and/or STAT pathways are associated with several disease states such as immunological and inflammatory diseases, hyperproliferative disorders including cancer, and myeloproliferative diseases.

  一个具有公式(I)的化合物，用于治疗疾病；一种包含所述公式(I)的融合醌化合物和至少一种药物可接受载体的组合物；以及一种调节Janus激酶-信号转导和转录激活因子(JAK-STAT)通路的方法。JAK和/或STAT通路的激活与多种疾病状态有关，如免疫性和炎症性疾病、包括癌症在内的过度增殖障碍以及骨髓增殖性疾病。