7-乙酰氨基氯硝西泮 | 41993-30-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 中文名称: 7-乙酰氨基氯硝西泮
• 英文名称: 7-Acetaminoclonazepam
• 英文别名: 7-acetylamino-5-(2-chloro-phenyl)-1,3-dihydro-benzo[e][1,4]diazepin-2-one；7-Acetamidoclonazepam；N-[5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-7-yl]acetamide
• CAS: 41993-30-0
• 化学式: C₁₇H₁₄ClN₃O₂
• 分子量: 327.77
• InChiKey: CSSPKOOFFDJUJC-UHFFFAOYSA-N

物化性质

• 熔点：
  >300°C
• 沸点：
  587.7±50.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）
• 保留指数：
  3270;3270;3263;3263

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  70.6
• 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-乙酰氨基氯硝西泮 在 劳森试剂 作用下， 以 乙二醇二甲醚 为溶剂， 生成
  参考文献：
  名称：

  Pyrazolobenzodiazepines: Part I. Synthesis and SAR of a potent class of kinase inhibitors

  摘要：

  A novel series of pyrazolobenzodiazepines 3 has been identified as potent inhibitors of cyclin-dependent kinase 2 (CDK2). Their synthesis and structure-activity relationships (SAR) are described. Representative compounds from this class reversibly inhibit CDK2 activity in vitro, and block cell cycle progression in human tumor cell lines. Further exploration has revealed that this class of compounds inhibits several kinases that play critical roles in cancer cell growth and division as well as tumor angiogenesis. Together, these properties suggest a compelling basis for their use as antitumor agents. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.079

文献信息

• Pyrazolobenzodiazepines: Part I. Synthesis and SAR of a potent class of kinase inhibitors
  作者：Jin-Jun Liu、Irena Daniewski、Qingjie Ding、Brian Higgins、Grace Ju、Kenneth Kolinsky、Fred Konzelmann、Christine Lukacs、Giacomo Pizzolato、Pamela Rossman、Amy Swain、Kshitij Thakkar、Chung-Chen Wei、Dorota Miklowski、Hong Yang、Xuefeng Yin、Peter M. Wovkulich

  DOI：10.1016/j.bmcl.2010.08.079

  日期：2010.10

  A novel series of pyrazolobenzodiazepines 3 has been identified as potent inhibitors of cyclin-dependent kinase 2 (CDK2). Their synthesis and structure-activity relationships (SAR) are described. Representative compounds from this class reversibly inhibit CDK2 activity in vitro, and block cell cycle progression in human tumor cell lines. Further exploration has revealed that this class of compounds inhibits several kinases that play critical roles in cancer cell growth and division as well as tumor angiogenesis. Together, these properties suggest a compelling basis for their use as antitumor agents. (c) 2010 Elsevier Ltd. All rights reserved.