7-benzyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one | 69981-00-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 7-benzyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
• 英文别名: 7-benzyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one hydrochloride；7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one hydrochloride；7-benzyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one;hydrochloride
• CAS: 69981-00-6
• 化学式: C₁₄H₁₅N₃O*ClH
• 分子量: 277.754
• InChiKey: NDKKBBYMDTZCGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.75
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  44.7
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  7-benzyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one 在 三氯氧磷 作用下， 反应 4.0h， 以80%的产率得到7-苄基-4-氯-5,6,7,8-四氢吡啶并[3,4-d]嘧啶
  参考文献：
  名称：

  WO2007/28022

  摘要：

  公开号：
• 作为产物：
  描述：

  7-苄基-5,6,7,8-四氢吡啶并[3,4-d]嘧啶-4(3H)-酮 在 盐酸 作用下， 以 水 为溶剂， 生成 7-benzyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
  参考文献：
  名称：

  WO2007/28022

  摘要：

  公开号：

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。
• NOVEL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF
  申请人：Kincaid John

  公开号：US20100022531A1

  公开（公告）日：2010-01-28

  Compounds are disclosed that have a formula represented by the following (1), 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.

  揭示了一种具有以下式子(1)所表示的公式的化合物，这些化合物可以制备成药物组成物，并可用于预防和治疗哺乳动物，包括人类的各种疾病，例如疼痛、炎症、创伤性损伤等，但不限于此。
• Process Development and Scale-up of a Selective α₁-Adrenoceptor Antagonist
  作者：Terrence J. Connolly、Michael Matchett、Keshab Sarma

  DOI：10.1021/op0498114

  日期：2005.1.1

  A synthetic route to a potent and selective a-l-adrenergic receptor antagonist has been developed and demonstrated in a pilot plant. The route has been used in two pilot plant campaigns and has produced RO3203546 in 2.3 and 12.0 kg batch sizes. The first pilot plant campaign focused primarily on the end-game of the process with particular emphasis on the development of a method to isolate the active pharmaceutical ingredient (API). The second pilot plant campaign allowed front-end process improvements to be demonstrated. The reiterative process improvements resulted in an economical process with improved throughput and product quality when compared to the original discovery synthesis.
• 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