7-(4-bromophenyl)-4-ethoxy-9-methyl-2-piperazin-1-yl-thieno[2,3-d:4,5-d']dipyrimidine | 874900-18-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 7-(4-bromophenyl)-4-ethoxy-9-methyl-2-piperazin-1-yl-thieno[2,3-d:4,5-d']dipyrimidine
• 英文别名: 11-(4-bromophenyl)-6-ethoxy-13-methyl-4-piperazin-1-yl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
• CAS: 874900-18-2
• 化学式: C₂₁H₂₁BrN₆OS
• 分子量: 485.407
• InChiKey: UYKBKZGVMPDYES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  7-(4-bromophenyl)-4-ethoxy-9-methyl-2-piperazin-1-yl-thieno[2,3-d:4,5-d']dipyrimidine 、 3-氨基苯硼酸 在 四(三苯基膦)钯 caesium carbonate 作用下， 以 水 、 异丙醇 、 甲苯 为溶剂， 反应 3.25h， 以73%的产率得到7-(4-[3'-aminobiphenyl])-4-ethoxy-9-methyl-2-piperazin-1-yl-thieno[2,3-d:4,5-d']dipyrimidine
  参考文献：
  名称：

  [DE] INHIBITOREN DER PHOSPHODIESTERASE 4 UND TNFa-FREISETZUNG
  [EN] SUBSTITUTED PYRIDO[3', 2': 4, 5]THIENO[3,2-D]PYRIMIDINES AND PYRIDO[3', 2': 4, 5]FURO[3, 2, D]PYRIMIDINES USED AS INHIBITORS OF THE PDE-4 AND/OR THE RELEASE OF TNF$G(A)
  [FR] PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDINES ET PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINES SUBSTITUEES UTILISEES COMME INHIBITEURS DE LA PDE 4 ET DE LA LIBERATION DU TNF$G(A)

  摘要：

  该发明涉及以下一般式(I)的化合物；a, 1 b, 1 c和1 d。其制备方法，含有这些化合物和/或可由其制备的生理相容性盐和/或其溶剂化合物的药物制剂，以及这些化合物、其盐或溶剂化合物作为磷酸二酯酶4的抑制剂的药用。这些化合物作为治疗通过抑制磷酸二酯酶4和/或TNFα释放所致的疾病的药物，例如在淋巴细胞、嗜酸性粒细胞和嗜碱性粒细胞、巨噬细胞和肥大细胞中，具有积极影响。

  公开号：

  WO2006010567A1

文献信息

• SUBSTITUTED PYRIDO [3', 2': 4, 5] THIENO [3, 2-D] PYRIMIDINES AND PYRIDO [3', 2': 4, 5] FURO [3, 2-D] PYRIMIDINES USED AS INHIBITORS OF THE PDE-4 AND/OR THE RELEASE OF TNF-ALPHA
  申请人：Reichelt Claudia

  公开号：US20080160028A1

  公开（公告）日：2008-07-03

  The invention relates to compounds of general formula (I); 1a, 1 b, 1 c and 1 d. The invention also relates to a method for the production thereof, pharmaceutical preparations containing said compounds and/or physiologically compatible salts thereof which can be produced therefrom and/or solvates thereof, and to the pharmaceutical use of said compounds, salts or solvates thereof as inhibitors of phosphodiesterase 4. The compounds comprise active ingredients for the treatment of diseases which can have a positive influence by inhibiting the activity of phosphodiesterase 4 and/or TNFα-release, for example, in lymphocytes, eosinophile and basophile granulocytes, macrophages and mastocytes.

  本发明涉及通式（I）的化合物，其中包括1a、1b、1c和1d。本发明还涉及其生产方法，包含所述化合物和/或可由其制备的生理兼容盐和/或溶剂化物的药物制剂，以及所述化合物、盐或溶剂化物作为磷酸二酯酶4的抑制剂的药物用途。这些化合物包含治疗疾病的活性成分，通过抑制磷酸二酯酶4和/或TNFα释放的活性，例如在淋巴细胞、嗜酸性粒细胞和嗜碱性粒细胞、巨噬细胞和肥大细胞中产生正面影响。
• Substituted pyrido [3′, 2′: 4, 5] thieno [3, 2-D] pyrimidines and pyrido [3′, 2′: 4, 5] furo [3, 2-D] pyrimidines used as inhibitors of the PDE-4 and/or the release of TNF-ALPHA
  申请人：The Medicines Company (Leipzig) GmbH

  公开号：US08058285B2

  公开（公告）日：2011-11-15

  The invention relates to compounds of general formula (I); 1a, 1 b, 1 c and 1 d. The invention also relates to a method for the production thereof, pharmaceutical preparations containing said compounds and/or physiologically compatible salts thereof which can be produced therefrom and/or solvates thereof, and to the pharmaceutical use of said compounds, salts or solvates thereof as inhibitors of phosphodiesterase 4. The compounds comprise active ingredients for the treatment of diseases which can have a positive influence by inhibiting the activity of phosphodiesterase 4 and/or TNFα-release, for example, in lymphocytes, eosinophile and basophile granulocytes, macrophages and mastocytes.

  本发明涉及通式(I)的化合物，其中1a、1b、1c和1d。本发明还涉及其制备方法，含有该化合物和/或可从中产生的生理相容盐和/或溶剂化物的制药制剂，以及该化合物、盐或溶剂化物作为磷酸二酯酶4的抑制剂的药物用途。该化合物包含用于治疗可以通过抑制磷酸二酯酶4和/或TNFα释放的活性成分，例如在淋巴细胞、嗜酸性粒细胞和嗜碱性粒细胞、巨噬细胞和肥大细胞中。
• SUBSTITUTED PYRIDO [3', 2': 4, 5] THIENO [3, 2-D] PYRIMIDINES AND PYRIDO [3', 2': 4, 5] FURO [3, 2-D] PYRIMIDINES USED AS INHIBITORS OF THE PDE-4 AND/OR THE RELEASE OF TNF-alpha
  申请人：Reichelt Claudia

  公开号：US20120094987A1

  公开（公告）日：2012-04-19

  The invention relates to compounds of general formula (I); 1a, 1b, 1c and 1d. The invention also relates to a method for the production thereof, pharmaceutical preparations containing said compounds and/or physiologically compatible salts thereof which can be produced therefrom and/or solvates thereof, and to the pharmaceutical use of said compounds, salts or solvates thereof as inhibitors of phosphodiesterase 4. The compounds comprise active ingredients for the treatment of diseases which can have a positive influence by inhibiting the activity of phosphodiesterase 4 and/or TNFα-release, for example, in lymphocytes, eosinophile and basophile granulocytes, macrophages and mastocytes.

  本发明涉及一般式（I）的化合物，包括1a、1b、1c和1d。本发明还涉及生产这些化合物的方法，含有该化合物和/或可由其制备的生理相容盐和/或溶剂化物的制药制剂，以及该化合物、盐或溶剂化物作为磷酸二酯酶4的抑制剂的药物用途。这些化合物包含用于通过抑制磷酸二酯酶4和/或TNFα释放的活性成分治疗疾病的，例如淋巴细胞、嗜酸性粒细胞和嗜碱性粒细胞、巨噬细胞和肥大细胞等。
• SUBSTITUIERTE PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDINE UND PYRIDO[3',2':4,5]FURO[3,2-D]-PYRIMIDINE ZUR VERWENDUNG ALS INHIBITOREN DER PDA-4 UND/ODER TNF-ALPHA FREISETZUNG
  申请人：The Medicines Company (Leipzig) GmbH

  公开号：EP1773840B1

  公开（公告）日：2010-01-20
• US8058285B2
  申请人：——

  公开号：US8058285B2

  公开（公告）日：2011-11-15