N-{[4-(4,5-dihydrobenzo[2,3]thiepino[4,5-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl}-methane sulfonamide | 296270-01-4

• 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: N-{[4-(4,5-dihydrobenzo[2,3]thiepino[4,5-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl}-methane sulfonamide
• 英文别名: N-[[trans-4-[(4,5-Dihydro[1]benzothiepino[5,4-d]thiazol-2-yl)amino]cyclohexyl]methyl]methanesulfonamide；N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]methanesulfonamide
• CAS: 296270-01-4
• 化学式: C₁₉H₂₅N₃O₂S₃
• 分子量: 423.624
• InChiKey: UWSBTSAJZMIHBL-UHFFFAOYSA-N

物化性质

• 沸点：
  640.9±65.0 °C(predicted)
• 密度：
  1.343±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 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 N-{[4-(4,5-dihydrobenzo[2,3]thiepino[4,5-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl}-methane sulfonamide
  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

• MODIFIED-RELEASE DOSAGE FORMS OF 5-HT2C AGONISTS USEFUL FOR WEIGHT MANAGEMENT
  申请人：Arena Pharmaceuticals, Inc.

  公开号：EP3485878A1

  公开（公告）日：2019-05-22

  The present invention relates to methods for weight management that utilize modified-release dosage forms comprising (R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine salts and crystalline forms thereof. The present invention further relates to (R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine salts, crystalline forms thereof and modified-release dosage forms comprising them.

  本发明涉及利用含有(R)-8-氯-1-甲基-2,3,4,5-四氢-1H-3-苯并哌啶盐及其结晶形式的改良释放剂型的体重管理方法。本发明还涉及(R)-8-氯-1-甲基-2,3,4,5-四氢-1H-3-苯并哌啶盐、其结晶形式以及含有它们的改良释放剂型。
• 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。
• SALTS OF LORCASERIN WITH OPTICALLY ACTIVE ACIDS
  申请人：Blackburn Anthony C.

  公开号：US20130310369A1

  公开（公告）日：2013-11-21

  Salts of 8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine with optically active acids, and pharmaceutical compositions comprising them that are useful for, inter alia, weight management.

  8-氯-1-甲基-2,3,4,5-四氢-1H-3-苯并嗪的盐，与手性酸混合制成的药物组合物，可用于体重管理等用途。
• NON-HYGROSCOPIC SALTS OF 5-HT2C AGONISTS
  申请人：Blackburn Anthony C.

  公开号：US20130317005A1

  公开（公告）日：2013-11-28

  Salts of the 5-HT2C-receptor agonist (R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, and dosage forms comprising them that are useful for, inter alia, weight management.

  5-HT2C受体激动剂(R)-8-氯-1-甲基-2,3,4,5-四氢-1H-3-苯并噻吩的盐，以及包含它们的剂型，可用于体重管理等方面。
• 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。