16-[4-(Piperazin-1-ylmethyl)phenyl]-1,5,11,13,19-pentazatricyclo[10.5.2.015,18]nonadeca-12,14,16,18-tetraen-6-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: 16-[4-(Piperazin-1-ylmethyl)phenyl]-1,5,11,13,19-pentazatricyclo[10.5.2.015,18]nonadeca-12,14,16,18-tetraen-6-one
• 英文别名: 16-[4-(piperazin-1-ylmethyl)phenyl]-1,5,11,13,19-pentazatricyclo[10.5.2.015,18]nonadeca-12,14,16,18-tetraen-6-one
• 化学式: C₂₅H₃₃N₇O
• 分子量: 447.6
• InChiKey: GGHPMXVWHKHNOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  33
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  87.1
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• PYRROLOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER
  申请人：The University of North Carolina at Chapel Hill

  公开号：US20140243315A1

  公开（公告）日：2014-08-28

  The ectopic expression of Mer receptor tyrosine kinase (Mer) has been identified as a tumor cell survival gene product in Acute Lymphoblastic Leukemia (ALL) cells and a potential cause of ALL chemoresistance. Hence, we investigated whether the development of small molecule Mer inhibitors was possible. A first aspect of the present invention is a compound (sometimes referred to as an “active compound” herein) of Formula I, IA, or IB.

  Mer受体酪氨酸激酶（Mer）的异位表达已被确定为急性淋巴细胞白血病（ALL）细胞中的肿瘤细胞生存基因产物，也是ALL化疗耐药的潜在原因。因此，我们研究了开发小分子Mer抑制剂是否可能。本发明的第一个方面是式I、IA或IB的化合物（以下有时称为“活性化合物”）。
• THERAPEUTIC USES OF SELECTED PYRROLOPYRIMIDINE COMPOUNDS WITH ANTI-MER TYROSINE KINASE ACTIVITY
  申请人：The University of North Carolina at Chapel Hill

  公开号：US20150290197A1

  公开（公告）日：2015-10-15

  Uses of pyrrolopyrimidines with anti-Mer tyrosine kinase activity as anti-infective agents, immunostimulatory and immunomodulatory agents, anti-cancer agents (including against MerTK−/− tumors and ITD and TKD mutant forms of Acute Myeloid Leukemia (AML)), and as adjunctive agents in combination with chemotherapeutic, radiation or other standard of care for neoplasms.

  使用具有抗Mer酪氨酸激酶活性的吡咯吡嘧啶作为抗感染剂、免疫刺激剂和免疫调节剂，抗癌剂（包括对MerTK-/-肿瘤和急性髓细胞白血病（AML）的ITD和TKD突变体），以及作为辅助剂与化疗、放疗或其他标准治疗方法结合治疗肿瘤。
• US9273056B2
  申请人：——

  公开号：US9273056B2

  公开（公告）日：2016-03-01