N4-{[trans-4-(aminomethyl)cyclohexyl]methyl}-5-nitro-N2-[2-(trifluoromethoxy)benzyl]pyrimidine-2,4-diamine | 852570-32-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N4-{[trans-4-(aminomethyl)cyclohexyl]methyl}-5-nitro-N2-[2-(trifluoromethoxy)benzyl]pyrimidine-2,4-diamine
• CAS: 852570-32-2
• 化学式: C₂₀H₂₅F₃N₆O₃
• 分子量: 454.452
• InChiKey: HKOWATVSFKRXRW-HDJSIYSDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.07
• 重原子数：
  32.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  128.23
• 氢给体数：
  3.0
• 氢受体数：
  8.0

文献信息

• Pyrimidine derivatives useful as inhibitors of PKC-theta
  申请人：Cardozo G. Mario

  公开号：US20050124640A1

  公开（公告）日：2005-06-09

  Disclosed are novel compounds of formula (I): wherein R 1 , R 2 and R 3 are as defined herein, which are useful as inhibitors of PKC-theta and are thus useful for treating a variety of diseases and disorders that are mediated or sustained through the activity of PKC-theta, including immunological disorders and type II diabetes. This invention 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.

  揭示了一种新的化合物，其化学式为（I）：其中R1、R2和R3如本文所定义，这些化合物可用作PKC-theta的抑制剂，因此可用于治疗通过PKC-theta活性介导或维持的各种疾病和疾病，包括免疫性疾病和2型糖尿病。本发明还涉及包含这些化合物的药物组合物，使用这些化合物治疗各种疾病和疾病的方法，制备这些化合物的工艺以及在这些工艺中有用的中间体。
• COMPOSITIONS FOR MODULATING CANCER STEM CELLS AND USES THEREFOR
  申请人：University of Canberra

  公开号：EP3185858A1

  公开（公告）日：2017-07-05
• EX-VIVO TREATMENT OF IMMUNOLOGICAL DISORDERS WITH PKC-THETA INHIBITORS
  申请人：Brown Maryanne

  公开号：US20120196919A1

  公开（公告）日：2012-08-02

  Disclosed is a method for treating a variety of diseases and disorders that are mediated or sustained through the activity of PKC-theta, including immunological disorders and atherosclerosis. Specifically, the invention relates to a method of treating an immunological disorder or atherosclerosis in a patient comprising treating blood from the patient, or a defined component of said blood, with an inhibitor of PKC-theta ex vivo and then re-administering the treated blood to the patient.
• US7550473B2
  申请人：——

  公开号：US7550473B2

  公开（公告）日：2009-06-23
• [EN] COMPOSITIONS FOR MODULATING CANCER STEM CELLS AND USES THEREFOR<br/>[FR] COMPOSITIONS POUR MODULER LES CELLULES SOUCHES CANCÉREUSES ET LEURS UTILISATIONS
  申请人：UNIV CANBERRA

  公开号：WO2016029262A1

  公开（公告）日：2016-03-03

  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.