1,2,4,5-tetrahydro-3-benzothiepin | 7125-32-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫平类
• 英文名称: 1,2,4,5-tetrahydro-3-benzothiepin
• 英文别名: 1,2,4,5-tetrahydro-benzo[d]thiepine；1,2,4,5-Tetrahydro-benzo[d]thiepin；4,5-Benzo-1-thia-cyclohepten-(4)；1,2,4,5-Tetrahydro-3-benzothiepine
• CAS: 7125-32-8
• 化学式: C₁₀H₁₂S
• 分子量: 164.271
• InChiKey: PHDMYIALNFNOON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  甲醇 、 1,2,4,5-tetrahydro-3-benzothiepin 生成 2-methoxy-1,2,4,5-tetrahydro-3-benzothiepin
  参考文献：
  名称：

  Desilets, S.; St-Jacques, M., Canadian Journal of Chemistry, 1992, vol. 70, # 10, p. 2650 - 2658

  摘要：

  DOI：
• 作为产物：
  描述：

  1,2,4,5-Tetrahydro-1-oxo-3-benzothiepine 生成 1,2,4,5-tetrahydro-3-benzothiepin
  参考文献：
  名称：

  Cagniant; Cagniant, Bulletin de la Societe Chimique de France, 1959, p. 1998,2009

  摘要：

  DOI：

文献信息

• NOVEL COMPOUNDS
  申请人：Hauel Norbert

  公开号：US20110294775A1

  公开（公告）日：2011-12-01

  Novel compounds which are useful for treating acute pain, visceral pain, neuropathic pain, inflammatory/pain receptor-mediated pain, tumour pain and headache diseases. The following is exemplary:

  新颖的化合物，可用于治疗急性疼痛、内脏疼痛、神经痛、炎症/疼痛受体介导的疼痛、肿瘤疼痛和头痛疾病。以下是示例：
• PYRAZOLE COMPOUND
  申请人：Sasaki Izumi

  公开号：US20130116296A1

  公开（公告）日：2013-05-09

  The present invention relates to a novel serotonin reuptake inhibitor which also exhibits 5-HT 2C antagonistic action (antidepressive and anxiolytic effects), in particular, 5-HT 2C inverse agonistic action comprising Compound (1): or a pharmaceutically acceptable salt thereof wherein R 1 , R 2 , R 3 and R 4 are independently hydrogen or C 1-6 alkyl etc.; R 5 is C 4-7 alkyl or —(CR 8 R 9 ) r -E; R 6 , R 7 , R 8 and R 9 are independently hydrogen, fluorine or C 1-6 alkyl; A is C 6-10 aryl or heteroaryl etc.; r is 1, 2, 3 or 4; E is C 3-8 cycloalkyl or C 6-10 aryl etc.; L is oxygen, sulfur or —NR 10 —; n is 1, 2 or 3; R 10 is hydrogen or C 1-6 alkyl etc.; and X is hydrogen or halogen etc.

  本发明涉及一种新型的血清素再摄取抑制剂，同时还表现出5-HT2C拮抗作用（抗抑郁和抗焦虑效果），特别是包括化合物（1）的5-HT2C逆作动作：或其药学上可接受的盐，其中R1、R2、R3和R4独立地为氢或C1-6烷基等；R5为C4-7烷基或—(CR8R9)r-E；R6、R7、R8和R9独立地为氢、氟或C1-6烷基；A为C6-10芳基或杂环芳基等；r为1、2、3或4；E为C3-8环烷基或C6-10芳基等；L为氧、硫或—NR10—；n为1、2或3；R10为氢或C1-6烷基等；X为氢或卤素等。
• Preventives/remedies for urinary disturbance
  申请人：Ishihara Yuji

  公开号：US20050197362A1

  公开（公告）日：2005-09-08

  Preventives/remedies for voiding disturbance containing a compound having both of an acetylcholinesterase inhibitory action and an α1 antagonistic action which exhibits an excellent effect of improving the urinary function of the bladder (i.e., effects of improving urine flow rate and voiding efficiency) without affecting the urinary pressure or the blood pressure.

  具有乙酰胆碱酯酶抑制作用和α1拮抗作用的化合物的预防/治疗措施，可以显著改善膀胱的尿液功能（即改善尿流率和排尿效率的效果），而不影响尿压或血压。
• Stabilized pharmaceutical composition
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0901787A1

  公开（公告）日：1999-03-17

  A stabilized pharmaceutical preparation which is coated with a coating agent comprising an agent for the protection from light, said agent being capable of producing free radicals when exposed to ultraviolet rays, and a free radical scavenger; which is stable to light, especially ultraviolet rays, or heat, and which has excellent storage-stability.

  一种稳定的药物制剂，其表面涂有一种包衣剂，该包衣剂包括一种避光剂（所述避光剂在紫外线照射下能产生自由基）和一种自由基清除剂；该制剂对光（尤其是紫外线）或热稳定，且具有极佳的储存稳定性。
• PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1466625A1

  公开（公告）日：2004-10-13

  Preventives/remedies for voiding disturbance containing a compound having both of an acetylcholinesterase inhibitory action and an α1 antagonistic action which exhibits an excellent effect of improving the urinary function of the bladder (i.e., effects of improving urine flow rate and voiding efficiency) without affecting the urinary pressure or the blood pressure.

  预防/治疗排尿障碍的药物，其中含有一种同时具有乙酰胆碱酯酶抑制作用和α1拮抗作用的化合物，该化合物在不影响尿压或血压的情况下，对改善膀胱排尿功能（即改善尿流率和排尿效率）具有极佳的效果。