3-fluoro-6-bromo-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one | 158524-64-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-fluoro-6-bromo-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one
• 英文别名: 6-bromo-3-fluoro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
• CAS: 158524-64-2
• 化学式: C₁₁H₁₀BrFO
• 分子量: 257.102
• InChiKey: CXBVGDAYGBINMN-UHFFFAOYSA-N

物化性质

• 沸点：
  322.9±42.0 °C(predicted)
• 密度：
  1.520±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-fluoro-6-bromo-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one 在 盐酸 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 异丙醇 为溶剂， 生成 (9-Fluoro-5,6-dihydro-4H-3-thia-1-aza-benzo[e]azulen-2-yl)-piperidin-4-ylmethyl-amine
  参考文献：
  名称：

  发现和SAR的有效，口服和脑可穿透的5,6-dihydro-4H-3-thia-1-氮杂-苯并[e] azulen和4,5-dihydro-6-oxa-3-thia-1 -氮杂-苯并[e] azulen衍生物作为神经肽Y Y5受体拮抗剂。

  摘要：

  一种有效的Y5拮抗剂（2）的结构元素与表现出弱Y5亲和力的噻唑片段的结合，然后进行前导优化，导致发现（5,6-dihydro-4H-3-thia-1-aza-benzo [e] azulen-2-yl）-piperidin-4-ylmethyl-amino和（4,5-dihydro-6-oxa-3-thia-1-aza-benzo [e] azulen-2-yl）-piperidin-4-ylmethyl -氨基衍生物。这两类化合物均能够递送有效的和选择性的口服和中央生物利用的NPY Y5受体拮抗剂。

  DOI：

  10.1016/j.bmcl.2004.03.014
• 作为产物：
  描述：

  8-氟-1-苯并环庚酮 在 溴 、 溶剂黄146 作用下， 以90%的产率得到3-fluoro-6-bromo-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one
  参考文献：
  名称：

  发现和SAR的有效，口服和脑可穿透的5,6-dihydro-4H-3-thia-1-氮杂-苯并[e] azulen和4,5-dihydro-6-oxa-3-thia-1 -氮杂-苯并[e] azulen衍生物作为神经肽Y Y5受体拮抗剂。

  摘要：

  一种有效的Y5拮抗剂（2）的结构元素与表现出弱Y5亲和力的噻唑片段的结合，然后进行前导优化，导致发现（5,6-dihydro-4H-3-thia-1-aza-benzo [e] azulen-2-yl）-piperidin-4-ylmethyl-amino和（4,5-dihydro-6-oxa-3-thia-1-aza-benzo [e] azulen-2-yl）-piperidin-4-ylmethyl -氨基衍生物。这两类化合物均能够递送有效的和选择性的口服和中央生物利用的NPY Y5受体拮抗剂。

  DOI：

  10.1016/j.bmcl.2004.03.014

文献信息

• Benzocycloheptene derivative and process for preparation thereof
  申请人：Tanabe Seikayu Co., Ltd.

  公开号：US05252589A1

  公开（公告）日：1993-10-12

  There is disclosed a benzocycloheptene compound of the formula: ##STR1## wherein R.sup.1 is hydrogen atom, a halogen atom or a lower alkoxy group, R.sup.2 and R.sup.3 are independently selected from hydrogen atom, a lower alkyl group and a lower alkenyl group, or R.sup.2 and R.sup.3 combine together with adjacent nitrogen atom to form a heteromonocyclic group, or a pharmaceutically acceptable salt thereof, which has an excellent inhibitory activity against contraction of urinary bladder.

  公开了一种苯环庚烯化合物，其化学式为：##STR1##其中R.sup.1是氢原子、卤原子或低烷氧基团，R.sup.2和R.sup.3分别选自氢原子、低烷基团和低烯基团，或R.sup.2和R.sup.3与相邻的氮原子结合形成一个杂单环团，或其药用可接受盐，具有优异的抑制膀胱收缩活性。
• Selective NPY (Y5) antagonists
  申请人：Marzabadi R. Mohammad

  公开号：US20050137240A1

  公开（公告）日：2005-06-23

  This invention is directed to bicyclic and tricyclic compounds which are selective antagonists for NPY (Y5) receptors. The invention provides a pharmaceutical composition comprising a therapeutically effective amount of a compound of the invention and a pharmaceutically acceptable carrier. This invention provides a pharmaceutical composition made by combining a therapeutically effective amount of a compound of this invention and a pharmaceutically acceptable carrier. The invention provides a process for making a pharmaceutical composition comprising combining a therapeutically effective amount of a compound of the invention and a pharmaceutically acceptable carrier. This invention further provides the use of a compound of the invention for the preparation of a pharmaceutical composition for treating an abnormality, wherein the abnormality is alleviated by decreasing the activity of a human Y5 receptor.

  本发明涉及选择性拮抗NPY（Y5）受体的双环和三环化合物。本发明提供一种制药组合物，包括本发明化合物的治疗有效量和药学上可接受的载体。本发明提供了一种由本发明化合物的治疗有效量和药学上可接受的载体组合而成的制药组合物。本发明还提供了制备制药组合物的方法，包括将本发明化合物的治疗有效量和药学上可接受的载体组合。本发明进一步提供了使用本发明化合物制备用于治疗异常状态的制药组合物，其中减少人类Y5受体活性可缓解该异常状态。
• Selective NPY (Y5) antagonists (tricyclics)
  申请人：Synaptic Pharmaceutical Corporation

  公开号：US06225330B1

  公开（公告）日：2001-05-01

  This invention is directed to tricyclic compounds which are selective antagonists for NPY (Y5) receptors. The invention provides a pharmaceutical composition comprising a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier. This invention provides a pharmaceutical composition made by combining a therapeutically effective amount of the compound of this invention and a pharmaceutically acceptable carrier. This invention further provides a process for making a pharmaceutical composition comprising combining a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier.

  本发明涉及三环化合物，它们是选择性NPY（Y5）受体拮抗剂。本发明提供了一种药物组合物，包括本发明化合物的治疗有效量和药用可接受载体。本发明提供了一种由本发明化合物的治疗有效量和药用可接受载体组合而成的药物组合物。本发明还提供了一种制备药物组合物的方法，包括将本发明化合物的治疗有效量和药用可接受载体组合。
• PYY and agonists thereof for modification of feeding behaviour
  申请人：Imperial Innovations Limited

  公开号：EP2050460A1

  公开（公告）日：2009-04-22

  Methods are disclosed for decreasing calorie intake, food intake, and appetite in a subject. The methods include peripherally administering a therapeutically effective amount of PYY or an agonist thereof to the subject, thereby decreasing the calorie intake of the subject.

  本发明公开了减少受试者卡路里摄入量、食物摄入量和食欲的方法。 这些方法包括向受试者外周施用治疗有效量的PYY或其激动剂，从而减少受试者的卡路里摄入量。
• Assessment of neurons in the arcuate nucleus to screen for agents that modify feeding behavior
  申请人：Cowley Michael

  公开号：US20050015820A1

  公开（公告）日：2005-01-20

  Screening methods of use in identifying agents that affect caloric intake, food intake, appetite, and energy expenditure are disclosed herein. These methods are used to identify agents of use in treating obesity, or that can be used to decrease the weight of a subject. These methods can also be used to identify agents of use in treating anorexia or cachexia and can be used to increase appetite and to increase the weight and lean body mass of a subject.

  本文公开了用于鉴定影响热量摄入、食物摄入、食欲和能量消耗的制剂的筛选方法。这些方法可用于鉴定治疗肥胖症或可用于减轻受试者体重的药物。这些方法还可用于确定治疗厌食症或恶病质的药物，并可用于增加食欲和增加受试者的体重和瘦体重。