2,3,6,7,10,11-hexahydrotriimidazo[1,2-a:1,2-c:1,2-e][1,3,5]triazine | 28584-89-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪烷类
• 英文名称: 2,3,6,7,10,11-hexahydrotriimidazo[1,2-a:1,2-c:1,2-e][1,3,5]triazine
• 英文别名: NCI-53040；2,3,6,7,10,11-hexahydro-triimidazo[1,2-a;1',2'-c;1'',2''-e][1,3,5]triazine；2,3,6,7,10,11-Hexahydro-triimidazo[1,2-a;1',2'-c;1'',2''-e][1,3,5]triazin；2,3,6,7,10,11-Hexahydrotriimidazo<1,2-a:1',2'-c:1',2'-e>-s-triazin；2,3,6,7,10,11-Hexahydrotriimidazo(1,2-a:1,2-c:1,2-e)(1,3,5)triazine；1,3,6,8,11,13-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,7,12-triene
• CAS: 28584-89-6
• 化学式: C₉H₁₂N₆
• 分子量: 204.234
• InChiKey: KEJXVKYIGLPAHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  46.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  曲他胺 在 1,4-二氧六环 、 镍 作用下， 100.0 ℃ 、7.84 MPa 条件下， 生成 2,3,6,7,10,11-hexahydrotriimidazo[1,2-a:1,2-c:1,2-e][1,3,5]triazine
  参考文献：
  名称：

  Rearrangement Reactions of 1-Aziridinyl-s-triazines; Dihydroimidazo [1,2-a]-s-triazines

  摘要：

  DOI：

  10.1021/ja01627a042

文献信息

• NUCLEAR EXPORT INHIBITORS OF TOPOISOMERASE II ALPHA
  申请人：Sullivan Daniel M.

  公开号：US20110275581A1

  公开（公告）日：2011-11-10

  A method of treating cancer in a subject comprising the step of administering to the subject in need thereof an effective amount of a combination of a compound that binds a nuclear export signal (NES inhibitor) on topoisomerase IIα and a topoisomerase inhibitor. Twenty small molecule inhibitors (SMI) that bind to the two nuclear export sequences (NES) topo IIα have been identified from the NCI database using computer-generated molecular modeling. These SMI will improve the effectiveness of topo II directed therapeutics, particularly in the treatment of diseases such as multiple myeloma (MM). In vitro apoptosis assays indicate that these drugs may be effective as single agents or in combination with currently used cancer drugs that target topo II.
• NOVEL DRUG TARGETS TO OVERCOME DE NOVO DRUG-RESISTANCE IN MULTIPLE MYELOMA
  申请人：University of Florida Research Foundation, Inc.

  公开号：US20130281389A1

  公开（公告）日：2013-10-24

  Topoisomerase II alpha (topo IIα) is exported from the cell nucleus in human myeloma cells by a chromosome-maintenance protein-1 (CRM1)-dependent mechanism, resulting in topo II inhibitor resistance. The nuclear export signal (NES) of topo IIα is unique, making it a potential target for small molecule inhibitors. Small molecules NES inhibitors were identified, which inhibited binding of topo IIα to the export receptor CRM1. Inhibition was specific to topo IIα as p53 trafficking was unaffected along with topo IIα protein expression and function (decatenation). These topo IIα-specific nuclear export inhibitors may potentially lead to a new approach in circumventing drug resistance in multiple myeloma. The compounds provide a protocol for treating multiple myeloma or an oncogenic disease. Further, the topoisomerase II nuclear export signal inhibitor may be combined with a topoisomerase II inhibitor.
• COMPOUNDS THAT MODULATE AUTOIMMUNITY AND METHODS OF USING THE SAME
  申请人：Michels Aaron

  公开号：US20150038480A1

  公开（公告）日：2015-02-05

  The invention provides methods of preventing, treating or ameliorating autoimmune diseases, such as diabetes and celiac disease, by decreasing the binding of MHC class II molecules to antigenic peptides or fragments of antigenic peptides of the autoimmune disease by the administration of small organic compounds. The invention also provides pharmaceutical compositions comprising the therapeutically effective small organic compounds and methods of using the same.
• US8623854B2
  申请人：——

  公开号：US8623854B2

  公开（公告）日：2014-01-07
• US9616051B2
  申请人：——

  公开号：US9616051B2

  公开（公告）日：2017-04-11