1-[6-(2-dimethylamino-ethylamino)-pyrimidin-4-yl]-N3-(2-methoxy-phenyl)-1H-[1,2,4]triazole-3,5-diamine | 700807-78-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-[6-(2-dimethylamino-ethylamino)-pyrimidin-4-yl]-N3-(2-methoxy-phenyl)-1H-[1,2,4]triazole-3,5-diamine
• 英文别名: 1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-N-(2-methoxyphenyl)-1,2,4-triazole-3,5-diamine
• CAS: 700807-78-9
• 化学式: C₁₇H₂₃N₉O
• 分子量: 369.429
• InChiKey: XCHZMPYWMULFBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  119
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  邻甲氧基苯胺 以 异丙醇 为溶剂， 生成 1-[6-(2-dimethylamino-ethylamino)-pyrimidin-4-yl]-N3-(2-methoxy-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。
• BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS
  申请人：AstraZeneca AB

  公开号：EP2051967A1

  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] BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECE TOR TRPVL RELATED DISORDERS<br/>[FR] DÉRIVÉS DE BENZIMIDAZOLE UTILISABLES POUR LE TRAITEMENT DES TROUBLES LIÉS AU RÉCEPTEUR DES VALLINOÏDES TRPVL
  申请人：ASTRAZENECA AB

  公开号：WO2008018827A1

  公开（公告）日：2008-02-14

  [EN] The claimed invention provides benzimidazole derivatives antagonists of VRl, processes for their preparation, pharmaceutical compositions containing them and their use in therapy. The compounds of Formula I may be used in the treatment of osteoarthritis, chronic tendinitis, pelvic pain and peripheral neuropathy, gastroesophageal reflux disease, irritable bowel s ndrome and overactive bladder. Formula I
  [FR] La présente invention concerne des dérivés de benzimidazole antagonistes du VRl, leurs procédés de préparation, des compositions pharmaceutiques qui les contiennent et leur utilisation thérapeutique. Les composés de formule (I) peuvent être utilisés pour le traitement de l'arthrose, de la tendinite chronique, de la douleur pelvienne et de la neuropathie périphérique, du reflux gastro-oeophagien, de la colopathie fonctionnelle et de la vessie hyperactive. Formule (I)