2-Oxo-2,3,3a,4,5,6-hexahydroindol | 1438-97-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 2-Oxo-2,3,3a,4,5,6-hexahydroindol
• 英文别名: 1,3,3a,4,5,6-hexahydro-indol-2-one；1,3,3a,4,5,6-Hexahydro-2h-indol-2-one；1,3,3a,4,5,6-hexahydroindol-2-one
• CAS: 1438-97-7
• 化学式: C₈H₁₁NO
• 分子量: 137.181
• InChiKey: XYOTVNLEVSFRRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

文献信息

• Sulfonamide peri-substituted bicyclics for occlusive artery disease
  申请人：Singh Jasbir

  公开号：US20060079520A1

  公开（公告）日：2006-04-13

  Acyl sulfonamide, peri-substituted, fused bicyclic ring compounds useful for the treatment or prophylaxis of a prostaglandin-mediated disease or condition are disclosed. The compounds are of the general formula A representative example is:

  酰基磺酰胺，带有周取代的融合双环环化合物，用于治疗或预防前列腺素介导的疾病或症状。这些化合物的一般公式为 代表性示例是：
• [EN] (--)- HUPERZINE A PROCESSES AND RELATED COMPOSITIONS AND METHODS OF TREATMENT<br/>[FR] PROCÉDÉS DE FABRICATION DE (-) HUPERZINE A, COMPOSITIONS ASSOCIÉES, ET MÉTHODES DE TRAITEMENT
  申请人：UNIV YALE

  公开号：WO2012121863A1

  公开（公告）日：2012-09-13

  The invention provides (1) processes for making substantially-pure (-) huperzine A and substantially-pure (-) huperzine A derivatives; (2) compositions useful in making substantially-pure (-) huperzine A and substantially-pure (-) huperzine A derivatives; and (3) methods of treating or preventing neurological disorders using substantially-pure (-) huperzine A and substantially-pure (-) huperzine A derivatives.

  该发明提供了三个方面：(1) 制备几乎纯的(-)华佩嗪A和几乎纯的(-)华佩嗪A衍生物的过程；(2) 用于制备几乎纯的(-)华佩嗪A和几乎纯的(-)华佩嗪A衍生物的组合物；以及(3) 使用几乎纯的(-)华佩嗪A和几乎纯的(-)华佩嗪A衍生物治疗或预防神经系统疾病的方法。
• [EN] THE TOTAL SYNTHESIS OF GLUCOSEPANE AND COMPOUNDS OBTAINED THEREFROM<br/>[FR] SYNTHÈSE TOTALE DE GLUCOSÉPANE ET COMPOSÉS OBTENUS À PARTIR DE CELLE-CI
  申请人：UNIV YALE

  公开号：WO2017053776A1

  公开（公告）日：2017-03-30

  Glucosepane is a structurally complex protein post-translational modification (PTM) believed to exist in all living organisms. Research in humans suggests that glucosepane plays a critical role in the pathophysiology of both diabetes and human aging; yet comprehensive biological investigations of this 'metabolite have been 'greatly hindered by a scarcity of chemically homogeneous material available for study. Glucosepane possesses a unique chemical structure that incorporates a surprising, never-before-prepared non-aromatic tautomer of imidazole (hereafter termed an "iso-imidazole"), rendering it a challenging target for chemical synthesis. In this application, the inventors report the first total synthesis of glucosepane, enabled by the development of a novel one-pot method for preparation of the iso-imidazole core. The synthesis of the present invention is concise (8-steps starting from commercial materials), convergent, high-yielding (12% overall), and enantioselective. These results should prove useful to the art and practice of heterocyclic chemistry, and critical for the study of glucosepane and its role in human health and disease, especially the treatment of diabetic disorders or its impact on aging processes. Methods of synthesis, compounds obtained therefrom, pharmaceutical compositions and methods of treatment provide embodiments of the present invention.

  葡萄糖胺是一种结构复杂的蛋白后翻译修饰（PTM），被认为存在于所有生物体中。人类的研究表明，葡萄糖胺在糖尿病和人类衰老的病理生理学中起着关键作用；然而，对这种“代谢产物”的全面生物学研究受到可供研究的化学均一材料的稀缺性的极大阻碍。葡萄糖胺具有独特的化学结构，其中包含一个令人惊讶的、从未制备过的非芳香咪唑互变异构体（以下简称“异咪唑”），使其成为化学合成的一个具有挑战性的目标。在本申请中，发明人报告了葡萄糖胺的首次全合成，该合成是通过开发一种新型一锅法制备异咪唑核心而实现的。本发明的合成方法简明（从商业材料开始的8步），收率高（总体为12%），对映选择性高。这些结果应该对杂环化学的艺术和实践有用，并且对研究葡萄糖胺及其在人类健康和疾病中的作用、特别是治疗糖尿病或其对衰老过程的影响至关重要。本发明提供了合成方法、从中获得的化合物、制药组合物和治疗方法的实施例。
• Aryl sulfonamide peri-substituted bicyclics for occlusive artery disease
  申请人：Singh Jasbir

  公开号：US20060142348A1

  公开（公告）日：2006-06-29

  Aryl sulfonamide, peri-substituted, fused bicyclic ring compounds useful for the treatment or prophylaxis of a prostaglandin-mediated disease or condition are disclosed. The compounds are of the general formula A representative example is:

  本发明揭示了用于治疗或预防前列腺素介导的疾病或病状的芳基磺酰胺，周围取代，融合双环环化合物。该化合物的一般式如下：其中，代表性的例子为：
• Carboxylic acid peri-substituted bicyclics for occlusive artery disease
  申请人：Singh Jasbir

  公开号：US20060142355A1

  公开（公告）日：2006-06-29

  Peri-substituted, fused bicyclic ring carboxylic acids useful for the treatment or prophylaxis of a prostaglandin-mediated disease or condition are disclosed. The compounds are of the general formula A representative example is:

  揭示了对于治疗或预防前列腺素介导的疾病或病状有用的取代周边，融合双环环酸类化合物。这些化合物的一般公式为。一个代表性的例子是：