N2-(4H-benzo[b]tetrazolo[1,5-d][1,4]oxazin-8-yl)-5-fluoro-N4-((1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl)pyrimidine-2,4-diamine | 1235998-83-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N2-(4H-benzo[b]tetrazolo[1,5-d][1,4]oxazin-8-yl)-5-fluoro-N4-((1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl)pyrimidine-2,4-diamine
• 英文别名: 5-fluoro-4-N-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl]-2-N-(4H-tetrazolo[5,1-c][1,4]benzoxazin-8-yl)pyrimidine-2,4-diamine
• CAS: 1235998-83-0
• 化学式: C₂₂H₂₈FN₉O
• 分子量: 453.522
• InChiKey: ORWZEDUXBCRHIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4H-Benzo[b]tetrazolo[1,5-d][1,4]oxazin-8-amine 、 2-chloro-5-fluoro-N-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl]pyrimidin-4-amine 在 三氟乙酸 作用下， 以 异丙醇 为溶剂， 生成 N2-(4H-benzo[b]tetrazolo[1,5-d][1,4]oxazin-8-yl)-5-fluoro-N4-((1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl)pyrimidine-2,4-diamine
  参考文献：
  名称：

  PROTEIN KINASE C INHIBITORS AND USES THEREOF

  摘要：

  本公开涉及一种化合物，其可用作蛋白激酶C（PKC）的抑制剂，因此可用于治疗通过PKC的活性介导或维持的各种疾病和障碍。本公开还涉及包含这些化合物的制药组合物，使用这些化合物治疗各种疾病和障碍的方法，制备这些化合物的过程以及这些过程中有用的中间体。

  公开号：

  US20100184755A1

文献信息

• Protein Kinase C Inhibitors and Uses Thereof
  申请人：RIGEL PHARMACEUTICALS, INC.

  公开号：US20130143875A1

  公开（公告）日：2013-06-06

  This disclosure concerns compounds which are useful as inhibitors of protein kinase C (PKC) and are thus useful for treating a variety of diseases and disorders that are mediated or sustained through the activity of PKC. This disclosure also relates to pharmaceutical compositions comprising these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.

  本公开涉及一些化合物，这些化合物可用作蛋白激酶C（PKC）的抑制剂，并因此可用于治疗多种通过PKC的活性介导或维持的疾病和障碍。本公开还涉及包含这些化合物的制药组合物，使用这些化合物治疗各种疾病和障碍的方法，制备这些化合物的过程以及在这些过程中有用的中间体。
• Stem cell modulation II
  申请人：University of Canberra

  公开号：US10736892B2

  公开（公告）日：2020-08-11

  Disclosed are methods and compositions for modulating cancer stem cells. More particularly, the present invention discloses the use of protein kinase C theta inhibitors (PKC-θ) for inhibiting the growth of PKC-θ-overexpressing cells including cancer stem cells, for enhancing the biological effects of chemotherapeutic drugs or irradiation on cancer cells, for treating cancer, including metastatic cancer and/or for preventing cancer recurrence.

  本发明公开了调节癌症干细胞的方法和组合物。更具体地说，本发明公开了蛋白激酶C theta抑制剂（PKC-θ）的用途，用于抑制包括癌症干细胞在内的PKC-θ过表达细胞的生长，增强化疗药物或照射对癌细胞的生物效应，治疗癌症，包括转移性癌症和/或预防癌症复发。
• STEM CELL MODULATION II
  申请人：EpiAxis Therapeutics Pty Ltd

  公开号：EP3046560B1

  公开（公告）日：2021-01-06
• Stem Cell Modulation II
  申请人：UNIVERSITY OF CANBERRA

  公开号：US20160354367A1

  公开（公告）日：2016-12-08

  Disclosed are methods and compositions for modulating cancer stem cells. More particularly, the present invention discloses the use of protein kinase C theta inhibitors (PKC-θ) for inhibiting the growth of PKC-θ-overexpressing cells including cancer stem cells, for enhancing the biological effects of chemotherapeutic drugs or irradiation on cancer cells, for treating cancer, including metastatic cancer and/or for preventing cancer recurrence.
• Compositions for Modulating Cancer Stem Cells and Uses Therefor
  申请人：University of Canberra

  公开号：US20170266140A1

  公开（公告）日：2017-09-21

  Disclosed are compositions and methods for modulating cancer stem cells. More particularly, the present invention discloses the use of lysine demethylase (LSD) inhibitors and protein kinase C theta inhibitors (PKC-θ) for inhibiting the growth of LSD- and/or PKC-θ-overexpressing cells including cancer stem cells, for enhancing the biological effects of chemotherapeutic drugs or irradiation on cancer cells, for treating cancer, including non-metastatic and metastatic cancer and/or for preventing cancer recurrence.