tert-butyl 4-oxospiro[3H-chromene-2,4'-azepane]-1'-carboxylate | 911228-16-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: tert-butyl 4-oxospiro[3H-chromene-2,4'-azepane]-1'-carboxylate
• CAS: 911228-16-5
• 化学式: C₁₉H₂₅NO₄
• 分子量: 331.412
• InChiKey: MVNMJSYTCCVZQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-苯基双(三氟甲烷磺酰)亚胺 、 tert-butyl 4-oxospiro[3H-chromene-2,4'-azepane]-1'-carboxylate 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 生成 Tert-butyl 4'-(trifluoromethylsulfonyloxy)spiro[azepane-4,2'-chromene]-1-carboxylate
  参考文献：
  名称：

  Spirocyclic Delta Opioid Receptor Agonists for the Treatment of Pain: Discovery of N,N-Diethyl-3-hydroxy-4-(spiro[chromene-2,4′-piperidine]-4-yl) Benzamide (ADL5747)

  摘要：

  Selective, nonpeptidic delta opioid receptor agonists have been the subject of great interest as potential novel analgesic agents. The discoveries of BW373U86 (1) and SNC80 (2) contributed to the rapid expansion of research in this field. However, poor drug-like properties and low therapeutic indices have prevented clinical evaluation of these agents. Doses of I and 2 similar to those required for analgesic activity produce convulsions in rodents and nonhuman primates. Recently, we described a novel series of potent, selective. and orally bioavailable delta opioid receptor agonists. The lead derivative, ADL5859 (4), is currently in phase It proof-of-concept studies for the management of pain. Further structure activity relationship exploration has led to the discovery of ADL5747 (36), which is approximately 50-fold more potent than 4 in an animal model of inflammatory pain. On the basis of its favorable efficacy, safety, and pharmacokinetic profile, 36 was selected as a clinical candidate for the treatment of pain.

  DOI：

  10.1021/jm900773n
• 作为产物：
  描述：

  氮杂环庚-4-酮 、 二碳酸二叔丁酯 在 四氢吡咯 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 16.33h， 生成 tert-butyl 4-oxospiro[3H-chromene-2,4'-azepane]-1'-carboxylate
  参考文献：
  名称：

  WO2006/105442

  摘要：

  公开号：

文献信息

• HETEROCYCLIC COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2123652A1

  公开（公告）日：2009-11-25

  The present invention provides a compound having an ACC inhibitory action, which is useful for the prophylaxis or treatment of obesity, diabetes, hypertension, hyperlipidemia, cardiac failure, diabetic complications, metabolic syndrome, sarcopenia, cancer and the like, and has superior efficacy. The present invention provides a compound represented by the formula (I): wherein each symbol is as in the specification, or a salt thereof.

  本发明提供了一种具有ACC抑制作用的化合物，该化合物用于预防或治疗肥胖、糖尿病、高血压、高脂血症、心力衰竭、糖尿病并发症、代谢综合征、肌肉减少症、癌症等疾病，并具有优异的疗效。 本发明提供了一种由公式（I）表示的化合物： 其中每个符号如说明书所述，或其盐。
• Spirocyclic Heterocyclic Derivatives And Methods Of Their Use
  申请人：Dolle E. Roland

  公开号：US20080102031A1

  公开（公告）日：2008-05-01

  Spirocyclic heterocyclic derivatives, pharmaceutical compositions containing these compounds, and methods for their pharmaceutical use are disclosed. In certain embodiments, the spirocyclic heterocyclic derivatives are ligands of the δ opioid receptor and may be useful, inter alia, for treating and/or preventing pain, anxiety, gastrointestinal disorders, and other δ opioid receptor-mediated conditions.

  本发明公开了螺环异杂环衍生物、含有这些化合物的制药组合物以及它们的制药用途方法。在某些实施例中，螺环异杂环衍生物是δ阿片受体的配体，可能有助于治疗和/或预防疼痛、焦虑、胃肠疾病和其他δ阿片受体介导的疾病等。
• SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE
  申请人：Dolle Roland E.

  公开号：US20100029614A1

  公开（公告）日：2010-02-04

  Spirocyclic heterocyclic derivatives, pharmaceutical compositions containing these compounds, and methods for their pharmaceutical use are disclosed. In certain embodiments, the spirocyclic heterocyclic derivatives are ligands of the δ opioid receptor and may be useful, inter alia, for treating and/or preventing pain, anxiety, gastrointestinal disorders, and other δ opioid receptor-mediated conditions.

  本发明公开了螺环杂环衍生物、含有这些化合物的制药组合物以及它们的制药用途的方法。在某些实施例中，螺环杂环衍生物是δ阿片受体的配体，并且可能有用于治疗和/或预防疼痛、焦虑、胃肠障碍和其他δ阿片受体介导的疾病等方面。
• METHODS FOR ENHANCING COGNITIVE FUNCTION
  申请人：Dolle E. Roland

  公开号：US20080119452A1

  公开（公告）日：2008-05-22

  Methods for enhancing cognitive function are disclosed. More particularly, methods are disclosed for enhancing cognitive function comprising the step of administering spirocyclic heterocyclic derivatives (including derivatives of spiro(2H-1-benzopyran-2,4′-piperidines) of the general formula IV:

  本发明揭示了增强认知功能的方法。更具体地，本发明揭示了一种增强认知功能的方法，其中包括给予螺环杂环衍生物（包括公式IV的螺(2H-1-苯并吡喃-2,4'-哌啶)衍生物）的步骤。
• Use of N-containing spirocompounds for the enhancement of cognitive function
  申请人：Adolor Corporation

  公开号：EP2399577A1

  公开（公告）日：2011-12-28

  Methods for enhancing cognitive function are disclosed. More particularly, methods are disclosed for enhancing cognitive function comprising the step of administering spirocyclic heterocyclic derivatives (including derivatives of spiro(2H-1-benzopyran-2,4'-piperidines) of the general formula (IV):

  本研究公开了增强认知功能的方法。更具体地说，本发明公开了增强认知功能的方法，包括给药通式（IV）的螺环杂环衍生物（包括螺(2H-1-苯并吡喃-2,4'-哌啶)的衍生物）的步骤：