5-(2-Chlorophenyl)-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-7-amine | 303196-49-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 5-(2-Chlorophenyl)-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-7-amine
• 英文别名: 5-(2-chlorophenyl)-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-7-amine
• CAS: 303196-49-8
• 化学式: C₁₇H₁₄ClN₅
• 分子量: 323.785
• InChiKey: KOQSEURLFTUQRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  74.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  在 氧气 作用下， 以 二甲基亚砜 为溶剂， 生成 5-(2-Chlorophenyl)-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepin-7-amine
  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

• Tumor models employing green fluorescent protein
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1840570A1

  公开（公告）日：2007-10-03

  The present invention relates to a method of evaluating whether a tumor metastasizes, a method for evaluating a candidate drug or protocol for the inhibition of metastasis of a tumor, a method for evaluating a candidate drug or protocol for the treatment of a tumor and a method of enhancing the propensity of a cell line to metastasize to a particular tissue. The invention also relates to a new LOX-GFP-LM cell line.

  本发明涉及一种评估肿瘤是否转移的方法、一种评估抑制肿瘤转移的候选药物或方案的方法、一种评估治疗肿瘤的候选药物或方案的方法以及一种增强细胞系向特定组织转移倾向的方法。本发明还涉及一种新的 LOX-GFP-LM 细胞系。
• US7749486B2
  申请人：——

  公开号：US7749486B2

  公开（公告）日：2010-07-06
• 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.