4-bromo-2,3-dihydro-1-benzothiepin-5(4H)-one | 21609-66-5

• 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: 4-bromo-2,3-dihydro-1-benzothiepin-5(4H)-one
• 英文别名: 4-bromo-3,4-dihydro-2H-benzo[b]thiepin-5-one；4-Brom-3,4-dihydro-1-benzothiepin-5(2H)-on；4-Bromo-3,4-dihydro-1-benzothiepin-5(2H)-one；4-bromo-3,4-dihydro-2H-1-benzothiepin-5-one
• CAS: 21609-66-5
• 化学式: C₁₀H₉BrOS
• 分子量: 257.151
• InChiKey: KGGDSPSQLQDOAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-bromo-2,3-dihydro-1-benzothiepin-5(4H)-one 在 sodium tetrahydroborate 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 34.0h， 生成 2-(2-bromoethyl)-1-benzothiophen
  参考文献：
  名称：

  一些1-苯并噻吩衍生物的环收缩成1-苯并噻吩

  摘要：

  据报道通过环收缩将一些1-苯并噻吩衍生物（1）转变为1-苯并噻吩衍生物（2a）。反式-1,2-二溴-1,2,3,4-四氢萘并[ 2,1 - b ]噻吩（8）的类似环收缩得到噻吩衍生物（9a）。在催化剂存在下用碱处理溴化合物（2a）和（9a）分别提供了优异的产率二烯（2d）和（9b）。

  DOI：

  10.1039/p19810001707
• 作为产物：
  描述：

  3,4-二氢-2H-苯并[B]硫杂卓-5-酮 在 氢溴酸 、 溴 作用下， 以 溶剂黄146 为溶剂， 生成 4-bromo-2,3-dihydro-1-benzothiepin-5(4H)-one
  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：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。
• Composition and method for inhibiting platelet aggregation
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US04304784A1

  公开（公告）日：1981-12-08

  This invention relates to a pharmaceutical use of 3-oxo-2,3-dihydro[1]benzothiophene-2-spirocyclopropane. The compound exhibits strong inhibition activity of thrombocyte aggregation in mammalian blood. The compound and its pharmaceutical composition are useful for the prophylaxis or treatment of cardiovascular disturbance such as thrombosis.

  本发明涉及3-氧代-2,3-二氢[1]苯并噻吩-2-螺环丙烷的药物用途。该化合物在哺乳动物血液中表现出强烈的抑制血小板聚集的活性。该化合物及其药物组成物对于预防或治疗心血管紊乱如血栓形成具有用处。
• Pharmaceutical composition comprising 3-oxo-2,3-dihydro-(1)-benzothiophene-2-spirocyclopropane and this compound for use in the prophylaxis or treatment of cardiovascular disturbance
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0011651A1

  公开（公告）日：1980-06-11

  A known compound, 3-oxo-2, 3-dihydro (1) benzothiophene-2-spirocyclopropane as represented by the following formula may inhibit agglutination of platelets in mammalian blood. This invention intends to use said compound and medical compositions including the same compound for the prevention or remedy of circulatory failure desease such as thrombosis.

  由下式表示的已知化合物 3-氧代-2，3-二氢（1）苯并噻吩-2-螺环丙烷可抑制哺乳动物血液中血小板的凝集。本发明打算将上述化合物和包括相同化合物的医用组合物用于预防或治疗循环衰竭疾病，如血栓形成。
• 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。
• CHATTERJEE A.; SEN B.; CHATTERJEE S. K., J. CHEM. SOC. PERKIN TRANS. PART 1, 1981, NO 6, 1707-1711
  作者：CHATTERJEE A.、 SEN B.、 CHATTERJEE S. K.

  DOI：——

  日期：——