2-amino-4,5-dihydro-naphtho[1,2-b]thiophene-3-carbonitrile | 13145-86-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-amino-4,5-dihydro-naphtho[1,2-b]thiophene-3-carbonitrile
• 英文别名: 2-amino-4,5-dihydronaphtho[1,2-b]thiophene-3-carbonitrile；2-Amino-3-cyan-4,5-dihydro-benzothianaphthen；2-amino-4,5-dihydrobenzo[g][1]benzothiole-3-carbonitrile
• CAS: 13145-86-3
• 化学式: C₁₃H₁₀N₂S
• 分子量: 226.302
• InChiKey: JJKLELBOXAKAAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  78
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-amino-4,5-dihydro-naphtho[1,2-b]thiophene-3-carbonitrile 、 原甲酸三乙酯 生成 5,6-dihydro-naphtho[2',1':4,5]thieno[2,3-d]pyrimidin-7-ylamine
  参考文献：
  名称：

  Heterocyclic synthesis from o-aminonitriles. XXIX. A new synthesis of 5-substituted pyrimidines

  摘要：

  DOI：

  10.1021/jo01283a003
• 作为产物：
  描述：

  β-四氢萘酮 、 丙二腈 在 吗啉 、 sulfur 作用下， 以 乙醇 为溶剂， 反应 0.25h， 以33%的产率得到2-amino-4,5-dihydro-naphtho[1,2-b]thiophene-3-carbonitrile
  参考文献：
  名称：

  [EN] SUBSTITUTED THIOPHENE CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION
  [FR] COMPOSES DE THIOPHENE CARBOXAMIDE SUBSTITUES UTILISES POUR TRAITER UNE INFLAMMATION

  摘要：

  本发明提供具有结构式I的取代噻吩羧酰胺化合物及其异构体、互变异构体、多晶型、载体、前药和其药学上可接受的盐，包含这些化合物的组合物，以及治疗与激酶活性相关疾病的方法。更具体地，本发明提供了治疗与IKK2相关的各种疾病的方法，包括治疗炎症、其他与炎症相关的疾病，如作为镇痛剂治疗疼痛和头痛、关节炎，包括但不限于类风湿关节炎、哮喘、胃肠疾病如炎症性肠病、血管疾病、病毒感染如艾滋病和癌症。

  公开号：

  WO2004009582A1

文献信息

• Substituted thiophene carboxamide compounds for the treatment of inflammation
  申请人：——

  公开号：US20040082602A1

  公开（公告）日：2004-04-29

  The present invention provides substituted thiophene carboxamide compounds having structural Formula I and isomers, tautomers, polymorphs, carriers, prodrugs, and pharmaceutically acceptable salts thereof, compositions comprising such, and methods for treating diseases associated with kinase activity. More specifically, the present invention provides methods of treatment of a variety of diseases associated with IKK2 including the treatment of inflammation, other inflammation-associated disorders, such as, as an analgesic in the treatment of pain and headaches, arthritis, including but not limited to rheumatoid arthritis, asthma, gastrointestinal conditions such as inflammatory bowel disease, vascular diseases, viral infections such as AIDS, and cancer.

  本发明提供具有结构式I及其异构体、互变异构体、多晶形、载体、前药和药学上可接受的盐的取代噻吩羧酰胺化合物，以及包含这些化合物的组合物和治疗与激酶活性相关的疾病的方法。更具体地，本发明提供了治疗包括IKK2相关疾病的各种疾病的方法，包括治疗炎症、其他与炎症相关的疾病，例如作为镇痛剂治疗疼痛和头痛，关节炎，包括但不限于类风湿性关节炎，哮喘，胃肠疾病，如炎性肠病，血管疾病，病毒感染，如艾滋病，以及癌症。
• MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH
  申请人：Tachdjian Catherine

  公开号：US20110224155A1

  公开（公告）日：2011-09-15

  The present invention includes methods for identifying modifiers of chemosensory receptors and their ligands, e.g., by determining whether a test entity is suitable to interact with one or more interacting sites within the Venus flytrap domains of the chemosensory receptors, and modifiers capable of modulating chemosensory receptors and their ligands. The present invention also includes modifiers of chemosensory receptors and their ligands having Formula (I), its subgenus, and specific compounds. Furthermore, the present invention includes ingestible compositions comprising the modifiers of chemosensory receptors and their ligands and methods of using the modifiers of chemosensory receptors and their ligands to enhance the sweet taste of an ingestible composition or treat a condition associated with a chemosensory receptor. In addition, the present invention include processes for preparing the modifiers of chemosensory receptors and their ligands.

  本发明包括识别化学感受受体及其配体的修饰剂的方法，例如通过确定测试实体是否适合与化学感受受体的捕蝇草结构域中的一个或多个相互作用位点发生相互作用，并且能够调节化学感受受体及其配体的修饰剂。本发明还包括化学感受受体及其配体的修饰剂，其具有式（I）、其亚属和具体化合物。此外，本发明还包括包含化学感受受体及其配体的修饰剂的可食用组合物以及使用化学感受受体及其配体的修饰剂增强可食用组合物的甜味或治疗与化学感受受体相关的疾病的方法。此外，本发明还包括制备化学感受受体及其配体的修饰剂的过程。
• Modulation of chemosensory receptors and ligands associated therewith
  申请人：Tachdjian Catherine

  公开号：US08633186B2

  公开（公告）日：2014-01-21

  The present invention includes methods for identifying modifiers of chemosensory receptors and their ligands, e.g., by determining whether a test entity is suitable to interact with one or more interacting sites within the Venus flytrap domains of the chemosensory receptors, and modifiers capable of modulating chemosensory receptors and their ligands. The present invention also includes modifiers of chemosensory receptors and their ligands having Formula (I), its subgenus, and specific compounds. Furthermore, the present invention includes ingestible compositions comprising the modifiers of chemosensory receptors and their ligands and methods of using the modifiers of chemosensory receptors and their ligands to enhance the sweet taste of an ingestible composition or treat a condition associated with a chemosensory receptor. In addition, the present invention include processes for preparing the modifiers of chemosensory receptors and their ligands.

  本发明涉及识别化学感受器及其配体的修饰剂的方法，例如，通过确定测试实体是否适合与化学感受器的食虫植物结构域内的一个或多个相互作用位点相互作用来确定。本发明还包括能够调节化学感受器及其配体的修饰剂。本发明还包括具有公式（I）、其亚属和特定化合物的化学感受器及其配体的修饰剂。此外，本发明包括包含化学感受器及其配体的修饰剂的可食用组合物，并使用化学感受器及其配体的修饰剂来增强可食用组合物的甜味或治疗与化学感受器相关的疾病的方法。此外，本发明还包括制备化学感受器及其配体的修饰剂的方法。
• Modulation of chemosensory receptors and ligands associated
  申请人：Senomyx, Inc.

  公开号：EP2568287A2

  公开（公告）日：2013-03-13

  The present invention includes methods for identifying modifiers of chemosensory receptors and their ligands, e.g., by determining whether a test entity is suitable to interact with one or more interacting sites within the Venus flytrap domains of the chemosensory receptors, and modifiers capable of modulating chemosensory receptors and their ligands. The present invention also includes modifiers of chemosensory receptors and their ligands having Formula (I), its subgenus, and specific compounds. Furthermore, the present invention includes ingestible compositions comprising the modifiers of chemosensory receptors and their ligands and methods of using the modifiers of chemosensory receptors and their ligands to enhance the sweet taste of an ingestible composition or treat a condition associated with a chemosensory receptor. In addition, the present invention includes processes for preparing the modifiers of chemosensory receptors and their ligands.

  本发明包括鉴定化感受体及其配体的修饰剂的方法，例如，通过确定试验实体是否适合与化感受体金星捕蝇草结构域内的一个或多个相互作用位点相互作用，以及能够修饰化感受体及其配体的修饰剂。本发明还包括具有式（I）、其亚属和特定化合物的化感受体及其配体的调节剂。此外，本发明还包括包含化感受体修饰剂及其配体的可食用组合物，以及使用化感受体修饰剂及其配体提高可食用组合物甜味或治疗与化感受体相关疾病的方法。此外，本发明还包括制备化感受体修饰剂及其配体的工艺。
• 2,4-Diaminothieno[2,3-d]pyrimidines as antifolates and antimalarials. 3. Synthesis of 5,6-disubstituted derivatives and related tetracyclic analogs
  作者：A. Rosowsky、K. K. N. Chen、M. Lin

  DOI：10.1021/jm00261a004

  日期：1973.3