1-(3-morpholin-4-yl-phenyl)-N3-(3,4,5-trimethoxy-phenyl)-1H-[1,2,4]triazole-3,5-diamine | 700809-18-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 1-(3-morpholin-4-yl-phenyl)-N3-(3,4,5-trimethoxy-phenyl)-1H-[1,2,4]triazole-3,5-diamine
• 英文别名: 1-(3-morpholin-4-ylphenyl)-3-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine
• CAS: 700809-18-3
• 化学式: C₂₁H₂₆N₆O₄
• 分子量: 426.475
• InChiKey: UWGSOGYVRQSZJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  3,4,5-三甲氧基苯胺 以 异丙醇 为溶剂， 生成 1-(3-morpholin-4-yl-phenyl)-N3-(3,4,5-trimethoxy-phenyl)-1H-[1,2,4]triazole-3,5-diamine
  参考文献：
  名称：

  Design, Synthesis, and Evaluation of a Novel Dual Fms-Like Tyrosine Kinase 3/Stem Cell Factor Receptor (FLT3/c-KIT) Inhibitor for the Treatment of Acute Myelogenous Leukemia

  摘要：

  A high-throughput screen of our compound archive revealed a novel class of dual FMS-like tyrosine kinase 3 (FLT3)/c-KIT inhibitors. With the help of molecular modeling, this class was rapidly optimized for both potency against FLT3 and FLT3/c-KIT and excellent potency in cell-based assays, leading to dose-dependent cell death in acute myelogenous leukemia (AML) patient blast samples. Ultimately, the AML patient blast data defined the preferred target profile as we designed and evaluated a set of FLT3 selective and FLT3/c-KIT dual molecules. Further optimization for pharmacokinetic properties resulted in the selection of the dual FLT3/c-KIT inhibitor, N-3-(4-(trans-4-morpholinocyclohexyl)phenyl)-1-(pyridin-2-yl)-1H-1,2,4-triazole-3,5-diamine, VX-322 (compound 37), to move forward to preclinical evaluation.

  DOI：

  10.1021/jm200712h

文献信息

• DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES
  申请人：Pierce C. Albert

  公开号：US20080014189A1

  公开（公告）日：2008-01-17

  The present invention relates to inhibitors of protein kinases. The invention also provides pharmaceutical compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various disorders.

  本发明涉及蛋白激酶抑制剂。该发明还提供了包含本发明化合物的药物组合物以及使用该组合物治疗各种疾病的方法。
• (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：EP2051962A1

  公开（公告）日：2009-04-29
• US7279469B2
  申请人：——

  公开号：US7279469B2

  公开（公告）日：2007-10-09
• US7902239B2
  申请人：——

  公开号：US7902239B2

  公开（公告）日：2011-03-08
• [EN] (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES<br/>[FR] DÉRIVÉS DE L'ACIDE (3-AMINO-1,2,3,4-TÉTRAHYDRO-9H-CARBAZOL-9-YL)-ACÉTIQUE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2008017989A1

  公开（公告）日：2008-02-14

  [EN] The present invention relates to (3-amino-l,2,3,4-tetrahydro-9H-carbazol-9-yl)-acetic acid derivatives of Formula (I) wherein R¹, R², R³, R⁴, R⁵ and R⁶ are as described in the description and their use as prostaglandin receptor modulators, most particularly as prostaglandin D₂ receptor modulators, in the treatment of various prostaglandin-mediated diseases and disorders, to pharmaceutical compositions containing these compounds and to processes for their preparation.
  [FR] La présente invention concerne des dérivés de l'acide (3-amino-1,2,3,4-tétrahydro-9H-carbazol-9-yl)-acétique de la Formule I (I) dans laquelle R1, R2, R3, R4, R5 et R6 sont tels que définis dans la description, et leur utilisation en tant que modulateurs des récepteurs de la prostaglandine, plus particulièrement comme modulateurs des récepteurs de la prostaglandine D2, dans le traitement de diverses maladies et troubles à médiation par la prostaglandine. La présente invention concerne également des compositions pharmaceutiques contenant ces composés et des procédés permettant de les préparer.