6-flouro-8-(4-methyl-piperazin-1-yl)-4-oxo-4H-chromene-2-carboxylic acid [4-(4-propionyl-piperazin-1-yl)-phenyl]-amide | 442548-99-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6-flouro-8-(4-methyl-piperazin-1-yl)-4-oxo-4H-chromene-2-carboxylic acid [4-(4-propionyl-piperazin-1-yl)-phenyl]-amide
• 英文别名: AZD1134；M-549865；6-Fluoro-8-(4-methyl-piperazin-1-yl)-4-oxo-4H-chromene-2-carboxylic acid [4-(4-propionyl-piperazin-1-yl)-phenyl]-amide；6-fluoro-8-(4-methylpiperazin-1-yl)-N-(4-(4-propionyl-piperazin-1-yl)phenyl)-4-oxo-4H-chromene-2-carboxamide；GR7FP8T3TF；6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-[4-(4-propanoylpiperazin-1-yl)phenyl]chromene-2-carboxamide
• CAS: 442548-99-4
• 化学式: C₂₈H₃₂FN₅O₄
• 分子量: 521.592
• InChiKey: CKBARMWSFIJZTL-UHFFFAOYSA-N

物化性质

• 沸点：
  771.4±60.0 °C(Predicted)
• 密度：
  1.329±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  85.4
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  6-flouro-8-(4-methyl-piperazin-1-yl)-4-oxo-4H-chromene-2-carboxylic acid [4-(4-propionyl-piperazin-1-yl)-phenyl]-amide 在 N-碘代丁二酰亚胺 、 三氟乙酸 作用下， 生成
  参考文献：
  名称：

  Synthesis of two isotopically labeled 5-HT1B antagonists

  摘要：

  DOI：

  10.1002/jlcr.1164

文献信息

• Therapeutic heterocyclic compounds
  申请人：——

  公开号：US20030013708A1

  公开（公告）日：2003-01-16

  Provided herein is a compound having the formula (I): 1 Wherein said compounds are useful for the treatment of psychiatric disorders including but not limited to depression, generalized anxiety, eating disorders, dementia, panic disorder, and sleep disorders. The compounds may also be useful in the treatment of gastrointestinal disorders, cardiovascular regulation, motor disorders, endocrine disorders, vasospasm and sexual dysfunction. The compounds are 5HT 1B and 5HT 1D antagonists.

  本文提供的化合物具有以下式（I）： 其中所述化合物可用于治疗精神障碍，包括但不限于抑郁症、广泛性焦虑、进食障碍、痴呆症、恐慌障碍和睡眠障碍。这些化合物还可能用于治疗胃肠道障碍、心血管调节、运动障碍、内分泌障碍、血管痉挛和性功能障碍。这些化合物是5HT 1B和5HT 1D拮抗剂。
• Therapeutic chroman compounds
  申请人：——

  公开号：US20040110745A1

  公开（公告）日：2004-06-10

  Provided herein is a compound represented by the Formula (I) wherein said compounds are useful for the treatment of migraine. Also provided are processes for the preparation of compounds of Formula (I) and intermediates.

  本文提供的是一种化合物，其化学式表示为（I），其中这些化合物对治疗偏头痛有用。还提供了制备化合物（I）和中间体的方法。
• [EN] FUMARATE SALTS<br/>[FR] SELS DE FUMARATE
  申请人：ASTRAZENECA AB

  公开号：WO2004007484A1

  公开（公告）日：2004-01-22

  The present invention relates to novel crystalline forms of 6-fluoro-8-(4-methyl-piperazin-1-yl)-4-oxo-4H-chromene-2-carboxylic acid [4-(4-propionyl-piperazin-1-yl)-phenyl]-amide fumarate salt. The present invention also relates to the use of said compounds for the treatment of depression, generalized anxiety, eating disorders, dementia, panic disorder, sleep disorders, gastrointestinal disorders, motor disorders, endocrine disorders, vasospasm, or sexual dysfunction, pharmaceutical compositions containing them and processes for obtaining them.

  本发明涉及6-氟-8-(4-甲基哌嗪-1-基)-4-氧代-4H-香豆素-2-羧酸[4-(4-丙酰基哌嗪-1-基)-苯基]-酰胺富马酸盐的新晶体形式。本发明还涉及使用该化合物治疗抑郁症、广泛性焦虑症、进食障碍、痴呆症、惊恐障碍、睡眠障碍、胃肠障碍、运动障碍、内分泌障碍、血管痉挛或性功能障碍，以及包含它们的制药组合物和制备它们的方法。
• [EN] BESYLATE SALTS<br/>[FR] SELS DE BESYLATE
  申请人：ASTRAZENECA AB

  公开号：WO2004007485A1

  公开（公告）日：2004-01-22

  The present invention relates to novel crystalline forms of 6-fluoro-8-(4-methyl-piperazin-1-yl)-4-oxo-4H-chromene-2-carboxylic acid [4-(4-propionyl-piperazin-1-yl)-phenyl]-amide besylate salt. The present invention also relates to the use of said compounds for the treatment of depression, generalized anxiety, eating disorders, dementia, panic disorder, sleep disorders, gastrointestinal disorders, motor disorders, endocrine disorders, vasospasm, or sexual dysfunction, pharmaceutical compositions containing them and processes for obtaining them.

  本发明涉及一种6-氟-8-(4-甲基哌嗪-1-基)-4-氧代-4H-香豆素-2-羧酸[4-(4-丙酰基哌嗪-1-基)-苯基]-阿胶盐的新晶型。本发明还涉及所述化合物用于治疗抑郁症、广泛性焦虑症、进食障碍、痴呆症、惊恐障碍、睡眠障碍、胃肠障碍、运动障碍、内分泌障碍、血管痉挛或性功能障碍，包含它们的制药组合物以及制备它们的过程。
• [EN] MALEATE SALTS<br/>[FR] SELS MALEATES
  申请人：ASTRAZENECA AB

  公开号：WO2004007486A1

  公开（公告）日：2004-01-22

  The present invention relates to novel crystalline forms of 6-fluoro-8-(4-methyl-piperazin-1-yl)-4-oxo-4H-chromene-2-carboxylic acid [4-(4-propionyl-piperazin-1-yl)-phenyl]-amide maleate salt. The present invention also relates to the use of said compounds for the treatment of depression, generalized anxiety, eating disorders, dementia, panic disorder, sleep disorders, gastrointestinal disorders, motor disorders, endocrine disorders, vasospasm, or sexual dysfunction, pharmaceutical compositions containing them and processes for obtaining them.

  本发明涉及6-氟-8-(4-甲基哌嗪-1-基)-4-氧代-4H-香豆素-2-羧酸[4-(4-丙酰基哌嗪-1-基)-苯基]-酰胺盐的新晶体形式。本发明还涉及利用所述化合物治疗抑郁症、广泛性焦虑症、进食障碍、痴呆症、惊恐障碍、睡眠障碍、胃肠障碍、运动障碍、内分泌失调、血管痉挛或性功能障碍，含有它们的制药组合物以及制备它们的方法。