N1-{[4-(4,5-Dihydrobenzo[2,3]thiepino[4,5-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl}-1-naphthalenesulfonamide | 296270-17-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻喃类
• 英文名称: N1-{[4-(4,5-Dihydrobenzo[2,3]thiepino[4,5-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl}-1-naphthalenesulfonamide
• 英文别名: N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]naphthalene-1-sulfonamide
• CAS: 296270-17-2
• 化学式: C₂₈H₂₉N₃O₂S₃
• 分子量: 535.755
• InChiKey: KSPCSLLIKPNJLI-UHFFFAOYSA-N

物化性质

• 沸点：
  765.1±70.0 °C(predicted)
• 密度：
  1.345±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  133
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-苯氨磺酰基丁酸 在 氢溴酸 、 溴 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 乙醇 、 二氯甲烷 、 溶剂黄146 为溶剂， 反应 4.0h， 生成 N1-{[4-(4,5-Dihydrobenzo[2,3]thiepino[4,5-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl}-1-naphthalenesulfonamide
  参考文献：
  名称：

  Discovery of Lu AA33810: A highly selective and potent NPY5 antagonist with in vivo efficacy in a model of mood disorder

  摘要：

  The structure-activity relationship of a series of tricyclic-sulfonamide compounds 11-32 culminating in the discovery of N-[trans-4-(4,5-dihydro-3,6-dithia-1-aza-benzo[e]azulen-2-ylamino)-cyclohexylmethyl]- methanesulfonamide (15, Lu AA33810) is reported. Compound 15 was identified as a selective and high affinity NPY5 antagonist with good oral bioavailability in mice (42%) and rats (92%). Dose dependent inhibition of feeding was observed after i.c.v. injection of the selective NPY5 agonist ([cPP(1-7), NPY19-23, Ala(31), Aib(32), Gln(34)]-hPP). In addition, ip administration of Lu AA33810 (10 mg/kg) produced antidepressant-like effects in a rat model of chronic mild stress. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.124

文献信息

• Selective NPY (Y5) antagonists
  申请人：Marzabadi R. Mohammad

  公开号：US20050176709A1

  公开（公告）日：2005-08-11

  This invention is directed to triazine derivatives, bicyclic compounds and tricyclic compounds which are selective antagonists for a NPY (Y5) receptor. 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. This 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. The 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.

  本发明涉及三嗪衍生物、双环化合物和三环化合物，它们是选择性 Y5 受体拮抗剂。该发明提供一种药物组合物，包括本发明化合物的治疗有效量和药学上可接受的载体。本发明提供一种药物组合物，由本发明化合物的治疗有效量和药学上可接受的载体组成。本发明提供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学上可接受的载体混合。本发明还提供一种使用本发明化合物制备药物组合物的方法，用于治疗异常情况，其中通过降低人类 Y5 受体的活性来缓解异常情况。
• TRIAZINE DERIVATIVES FOR USE AS SELECTIVE NPY (Y5) ANTAGONISTS
  申请人：H. LUNDBECK A/S

  公开号：EP1816127A1

  公开（公告）日：2007-08-08

  This invention is directed to triazine derivatives, bicyclic compounds and tricyclic compounds which are selective antagonists for a NPY (Y5) receptor. 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. This 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. The 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.

  本发明涉及三嗪衍生物、双环化合物和三环化合物，它们是 NPY（Y5）受体的选择性拮抗剂。本发明提供了一种药物组合物，其中包含治疗有效量的本发明化合物和药学上可接受的载体。本发明提供了一种由治疗有效量的本发明化合物和药学上可接受的载体组合而成的药物组合物。本发明提供了一种制备药物组合物的工艺，该工艺包括将治疗有效量的本发明化合物与药学上可接受的载体相结合。本发明进一步提供了本发明化合物用于制备治疗异常的药物组合物的用途，其中通过降低人Y5受体的活性来缓解异常。
• SELECTIVE NPY (Y5) ANTAGONISTS
  申请人：H. LUNDBECK A/S

  公开号：EP1183245B1

  公开（公告）日：2007-05-09
• US6124331A
  申请人：——

  公开号：US6124331A

  公开（公告）日：2000-09-26
• US6989379B1
  申请人：——

  公开号：US6989379B1

  公开（公告）日：2006-01-24