2-(1-adamantyl)-N-[4-(1H-imidazol-4-ylmethyl)-4,7,9-triazabicyclo[4.4.0]deca-6,8,10-trien-10-yl]acetamide | 911008-44-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: 2-(1-adamantyl)-N-[4-(1H-imidazol-4-ylmethyl)-4,7,9-triazabicyclo[4.4.0]deca-6,8,10-trien-10-yl]acetamide
• 英文别名: 2-Adamantan-1-yl-N-[7-(1H-imidazol-4-ylmethyl)-5,6,7,8-tetrahydro-pyrido[3,4-d]pyrimidin-4-yl]-acetamide；2-(1-adamantyl)-N-[7-(1H-imidazol-5-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
• CAS: 911008-44-1
• 化学式: C₂₃H₃₀N₆O
• 分子量: 406.531
• InChiKey: SWTJACAYXPAIDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  86.8
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Bicycloheteroaryl compounds as P2X7 modulators and uses thereof
  申请人：Kelly G. Michael

  公开号：US20060217448A1

  公开（公告）日：2006-09-28

  Bicycloheteroaryl compounds are disclosed that have a formula represented by the following: The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, pain, inflammation, traumatic injury, and others.

  公开了具有以下公式代表的Bicycloheteroaryl化合物：这些化合物可以制备为药物组合物，并可用于预防和治疗包括人类在内的哺乳动物的各种疾病，例如疼痛、炎症、创伤性损伤等。
• Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof
  申请人：Kelly G Michael

  公开号：US20080039478A1

  公开（公告）日：2008-02-14

  Bicycloheteroaryl compounds are disclosed that have a formula represented by the following: The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, pain, inflammation, traumatic injury, and others.

  本文披露了一种具有以下公式表示的Bicycloheteroaryl化合物：这些化合物可以制备为药物组成物，并可用于预防和治疗哺乳动物包括人类的各种疾病，包括但不限于疼痛，炎症，创伤性损伤等。
• BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF
  申请人：Renovis, Inc.

  公开号：EP1860942A2

  公开（公告）日：2007-12-05
• US7297700B2
  申请人：——

  公开号：US7297700B2

  公开（公告）日：2007-11-20
• [EN] BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF<br/>[FR] COMPOSES BICYCLOHETEROARYLE UTILISES EN TANT QUE MODULATEURS DE P2X7 ET LEURS UTILISATIONS
  申请人：RENOVIS INC

  公开号：WO2006102610A2

  公开（公告）日：2006-09-28

  [EN] Bicycloheteroaryl compounds are disclosed that have a formula represented by the following: (I) The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, pain, inflammation, traumatic injury, and others.
  [FR] L'invention concerne des composés bicyclohétéroaryle représentés par la formule I. Ces composés peuvent être préparés sous forme de compositions pharmaceutiques et peuvent être utilisés pour la prévention et le traitement de diverses affections chez des mammifères, tels que des humains, notamment la douleur, l'inflammation, les lésions traumatiques, etc.