5-hydroxy-2-((4-methylpiperazin-1-yl)methyl)-4H-pyran-4-one hydrobromide | 754239-94-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: 5-hydroxy-2-((4-methylpiperazin-1-yl)methyl)-4H-pyran-4-one hydrobromide
• 英文别名: 5-Hydroxy-2-[(4-methylpiperazin-4-ium-1-yl)methyl]pyran-4-one;bromide；5-hydroxy-2-[(4-methylpiperazin-4-ium-1-yl)methyl]pyran-4-one;bromide
• CAS: 754239-94-6
• 化学式: BrH*C₁₁H₁₆N₂O₃
• 分子量: 305.172
• InChiKey: CEQZFRNYPAYVOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.67
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  53
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(5-bromopentylsulfanyl)-7-(trifluoromethyl)quinoline 、 5-hydroxy-2-((4-methylpiperazin-1-yl)methyl)-4H-pyran-4-one hydrobromide 在 caesium carbonate 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 3.0h， 以75%的产率得到tert-butyl 4-((5-(5-(7-(trifluoromethyl)quinolin-4-ylthio)pentyloxy)-4-oxo-4H-pyran-2-yl)methyl)piperazine-1-carboxylate
  参考文献：
  名称：

  [EN] COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS
  [FR] NOUVEAUX COMPOSES ET PROCEDES DE TRAITEMENT DE PATHOLOGIES ASSOCIEES A LA PROLIFERATION CELLULAIRE, DE RETINOPATHIES ET DE L'ARTHRITE

  摘要：

  公开号：

  WO2004076445A3
• 作为产物：
  描述：

  曲酸 在 硫酸 作用下， 以 乙腈 为溶剂， 反应 13.5h， 生成 5-hydroxy-2-((4-methylpiperazin-1-yl)methyl)-4H-pyran-4-one hydrobromide
  参考文献：
  名称：

  [EN] COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS
  [FR] NOUVEAUX COMPOSES ET PROCEDES DE TRAITEMENT DE PATHOLOGIES ASSOCIEES A LA PROLIFERATION CELLULAIRE, DE RETINOPATHIES ET DE L'ARTHRITE

  摘要：

  公开号：

  WO2004076445A3

文献信息

• Novel compounds and methods of treating cell proliferative diseases, retinopathies and arthritis
  申请人：Leblond Bertrand

  公开号：US20060183749A1

  公开（公告）日：2006-08-17

  The present invention relates to compounds and their uses, particularly in the pharmaceutical industry. The invention discloses compounds having anti-proliferative and antiangiogenic activities, as well as methods for treating various diseases associated with abnormal cell proliferation, including cancer, or associated with unregulated angiogenesis including growth and metastasis of solid tumors, ocular diseases and especially retinopathies, or arthritis, by administering said compounds. It further deals with pharmaceutical compositions comprising said compounds, more particularly useful to treat cancers (such as leukemia), ocular diseases and arthritis.

  本发明涉及化合物及其用途，特别是在制药工业中的应用。该发明揭示了具有抗增殖和抗血管生成活性的化合物，以及治疗与异常细胞增殖相关的各种疾病的方法，包括癌症，或与非调节性血管生成相关的疾病，包括实体肿瘤的生长和转移、眼部疾病，特别是视网膜病变或关节炎，通过给予这些化合物进行治疗。它还涉及包含这些化合物的制药组合物，更具体地用于治疗癌症（如白血病）、眼部疾病和关节炎。
• NOVEL COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS
  申请人：LEBLOND Bertrand

  公开号：US20090216014A1

  公开（公告）日：2009-08-27

  The present invention relates to compounds and their uses, particularly in the pharmaceutical industry. The invention discloses compounds having anti-proliferative and antiangiogenic activities, as well as methods for treating various diseases associated with abnormal cell proliferation, including cancer, or associated with unregulated angiogenesis including growth and metastasis of solid tumors, ocular diseases and especially retinopathies, or arthritis, by administering said compounds. It further deals with pharmaceutical compositions comprising said compounds, more particularly useful to treat cancers (such as leukemia), ocular diseases and arthritis.

  本发明涉及化合物及其用途，尤其是在制药业中的应用。该发明揭示了具有抗增殖和抗血管生成活性的化合物，以及通过给予该化合物治疗与异常细胞增殖有关的各种疾病的方法，包括癌症，或与不受调节的血管生成有关的疾病，包括实体肿瘤的生长和转移，眼部疾病，尤其是视网膜病变或关节炎。它还涉及包含该化合物的制药组合物，特别是用于治疗癌症（如白血病）、眼部疾病和关节炎。
• Compounds and methods of treating cell proliferative diseases, retinopathies and arthritis
  申请人：Exonhit Therapeutics SA

  公开号：US07514432B2

  公开（公告）日：2009-04-07

  The present invention relates to compounds and their uses, particularly in the pharmaceutical industry. The invention discloses compounds having anti-proliferative and antiangiogenic activities, as well as methods for treating various diseases associated with abnormal cell proliferation, including cancer, or associated with unregulated angiogenesis including growth and metastasis of solid tumors, ocular diseases and especially retinopathies, or arthritis, by administering said compounds. It further deals with pharmaceutical compositions comprising said compounds, more particularly useful to treat cancers (such as leukemia), ocular diseases and arthritis.

  本发明涉及化合物及其用途，特别是在制药工业中的应用。本发明揭示了具有抗增殖和抗血管生成活性的化合物，以及治疗与异常细胞增殖有关的各种疾病（包括癌症），或与未受调控的血管生成有关的疾病，包括实体瘤的生长和转移、眼部疾病，尤其是视网膜病变或关节炎等的方法，通过给予所述化合物进行治疗。它进一步涉及包含所述化合物的制药组合物，更具体地用于治疗癌症（如白血病）、眼部疾病和关节炎。
• COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS
  申请人：Exonhit Therapeutics S.A.

  公开号：EP1597253A2

  公开（公告）日：2005-11-23
• US7514432B2
  申请人：——

  公开号：US7514432B2

  公开（公告）日：2009-04-07