4-(1,6,11-trioxo-2,3,4,6,11,12-hexahydro-1H-benzo[b]xanthen-12-yl)benzonitrile | 1548478-81-4

• 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: 4-(1,6,11-trioxo-2,3,4,6,11,12-hexahydro-1H-benzo[b]xanthen-12-yl)benzonitrile
• 英文别名: 4-(1,6,11-Trioxo-2,3,4,12-tetrahydrobenzo[b]xanthen-12-yl)benzonitrile；4-(1,6,11-trioxo-2,3,4,12-tetrahydrobenzo[b]xanthen-12-yl)benzonitrile
• CAS: 1548478-81-4
• 化学式: C₂₄H₁₅NO₄
• 分子量: 381.387
• InChiKey: GNRDJKFFIYBYIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  29
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  84.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,3-环己二酮 以 乙腈 、 苯 为溶剂， 反应 5.0h， 生成 4-(1,6,11-trioxo-2,3,4,6,11,12-hexahydro-1H-benzo[b]xanthen-12-yl)benzonitrile
  参考文献：
  名称：

  [EN] FUSED QUINONIC COMPOUNDS
  [FR] COMPOSÉS QUINONIQUES FUSIONNÉS

  摘要：

  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。

  公开号：

  WO2014016314A1

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。
• 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。