6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepine | 389607-02-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吖庚因类
• 英文名称: 6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepine
• CAS: 389607-02-7
• 化学式: C₇H₁₁N₃
• 分子量: 137.184
• InChiKey: AKRJUOQZWQVALE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  6-[1,2,4]Triazol-1-yl-hexanoic acid ethyl ester 在 ammonium peroxydisulfate 、 silver nitrate 作用下， 以 水 、 三氟乙酸 为溶剂， 以63%的产率得到6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepine
  参考文献：
  名称：

  N-烷基1,2,4-三唑的自由基烷基化

  摘要：

  1- N-烷基三唑与相应羧酸生成的烷基反应，得到在5位选择性烷基化的三唑环。仲自由基在分子间反应中表现最佳，而伯自由基则以分子内方式烷基化三唑。

  DOI：

  10.1016/s0040-4039(01)01518-0

文献信息

• [EN] NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES CONDENSÉS CONTENANT DE L'AZOTE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE PRODUCTION DE LA BÊTA-AMYLOÏDE
  申请人：EISAI R&D MAN CO LTD

  公开号：WO2010098487A1

  公开（公告）日：2010-09-02

  A compound represented by the formula [I]: or a pharmacologically acceptable salt or ester thereof, wherein Ring A represents a five-membered aromatic heterocyclic group or the like fused with a non-aromatic ring group, which may be substituted, Ring B represents a phenyl group or the like which may be substituted, X1 represents a single bond or the like, R1 and R2 each represent a C1-6 alkyl group or the like, m represents an integer of 0 to 3, and n represents an integer of 0 to 2, is effective as a therapeutic agent for a disease caused by Aβ.

  化合物的分子式为[I]：或其药理学可接受的盐或酯，其中环A代表一个五元芳香杂环基团或类似于非芳香环基团的融合物，可以被取代，环B代表一个苯基或类似的基团，可以被取代，X1代表一个单键或类似物，R1和R2分别代表一个C1-6烷基基团或类似物，m表示0到3的整数，n表示0到2的整数，对由Aβ引起的疾病具有治疗作用。
• COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF
  申请人：Hanada Keisuke

  公开号：US20090325992A1

  公开（公告）日：2009-12-31

  A compound represented by general formula (I): a salt thereof, a solvate thereof, or a prodrug thereof wherein all symbols are as defined in the specification has an antagonistic activity against CXCR4 and is therefore useful as a preventive and/or therapeutic agent for CXCR4-mediated diseases, for example, inflammatory and immune diseases (for example, rheumatoid arthritis, arthritis, retinopathy, macular degeneration, pulmonary fibrosis, transplanted organ rejection, etc.), allergic diseases, infections (for example, human immunodeficiency virus infection, acquired immunodeficiency syndrome, etc.), psychoneurotic diseases, cerebral diseases, cardiovascular disease, metabolic diseases, cancerous diseases (for example, cancer, cancer metastasis, etc.), a preventive and/or therapeutic agent for cancerous diseases or infections, or an agent for regeneration therapy.

  化合物的一般式（I）所代表的化合物，其盐、溶剂化物或前药，其中所有符号均如规范中定义的那样，具有对CXCR4的拮抗活性，因此可用作预防和/或治疗CXCR4介导的疾病的药物，例如炎症和免疫性疾病（例如类风湿性关节炎、关节炎、视网膜病变、黄斑变性、肺纤维化、移植器官排斥等）、过敏性疾病、感染（例如人类免疫缺陷病毒感染、获得性免疫缺陷综合症等）、精神神经疾病、脑部疾病、心血管疾病、代谢性疾病、癌症（例如癌症、癌症转移等）的预防和/或治疗药物，或作为再生疗法的药物。
• Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors
  申请人：Kitazawa Noritaka

  公开号：US20120053171A1

  公开（公告）日：2012-03-01

  A compound represented by the formula [I]: or a pharmacologically acceptable salt or ester thereof, wherein Ring A represents a five-membered aromatic heterocyclic group or the like fused with a non-aromatic ring group, which may be substituted, Ring B represents a phenyl group or the like which may be substituted, X1 represents a single bond or the like, R1 and R2 each represent a C1-6 alkyl group or the like, m represents an integer of 0 to 3, and n represents an integer of 0 to 2, is effective as a therapeutic agent for a disease caused by Aβ.

  化合物的化学式为[I]，或其药理学上可接受的盐或酯，其中环A代表一个五元芳香杂环基团或类似物，与非芳香环基团融合，可以被取代，环B代表苯基或类似物，可以被取代，X1代表单键或类似物，R1和R2各代表C1-6烷基或类似物，m代表0至3的整数，n代表0至2的整数，该化合物对由Aβ引起的疾病具有治疗作用。
• NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP2401276B1

  公开（公告）日：2013-06-05
• ANIMAL TRAINING USING COGNITIVE ENHANCEMENT
  申请人：Pohela LLC

  公开号：US20160113938A1

  公开（公告）日：2016-04-28

  Methods are disclosed to enhance the training potential of a domestic animal during training, thereby shortening the training period and/or increasing the effectiveness of the training. The method involves first administering to the domestic animal a pharmaceutical composition comprising a cognitive enhancing agent in an amount effective to improve cognitive function. The enhanced cognition allows the domestic animal to learn to perform a task and/or to change its existing behavior more effectively and on an accelerated basis. Therefore, while the animal's cognitive function is enhanced, the method then involves conditioning the domestic animal to perform a task or change an existing behavior.