4-tert-butyl-N-{3-[5-(2-methanesulfonyl-pyrimidin-4-ylamino)-1-methyl-6-oxo-1,6-dihydro-pyridazin-3-yl]-2-methyl-phenyl}-benzamide | 1147529-06-3

• 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: 4-tert-butyl-N-{3-[5-(2-methanesulfonyl-pyrimidin-4-ylamino)-1-methyl-6-oxo-1,6-dihydro-pyridazin-3-yl]-2-methyl-phenyl}-benzamide
• 英文别名: 4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[(2-methylsulfonylpyrimidin-4-yl)amino]-6-oxopyridazin-3-yl]phenyl]benzamide
• CAS: 1147529-06-3
• 化学式: C₂₈H₃₀N₆O₄S
• 分子量: 546.65
• InChiKey: VAFZFHWURJFSCZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  39
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  142
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3-羟基吡咯烷 、 4-tert-butyl-N-{3-[5-(2-methanesulfonyl-pyrimidin-4-ylamino)-1-methyl-6-oxo-1,6-dihydro-pyridazin-3-yl]-2-methyl-phenyl}-benzamide 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以42%的产率得到4-tert-butyl-N-(3-{5-[2-(3-hydroxy-pyrrolidin-1-yl)-pyrimidin-4-ylamino]-1-methyl-6-oxo-1,6-dihydro-pyridazin-3-yl}-2-methyl-phenyl)-benzamide
  参考文献：
  名称：

  BTK protein kinase inhibitors

  摘要：

  这个申请公开了根据公式I的吡啶和嘧啶化合物，其中R1、R2、R3、R4、R5、X1和A如本文所述，可抑制Btk。所公开的化合物有助于调节Btk的活性，并治疗与Btk活性过度相关的疾病。这些化合物进一步用于治疗与异常B细胞增殖相关的炎症和自身免疫疾病，如类风湿性关节炎。还公开了包含公式I化合物和至少一种载体、稀释剂或助剂的组合物。

  公开号：

  US20090105209A1
• 作为产物：
  描述：

  4-tert-butyl-N-{2-methyl-3-[1-methyl-5-(2-methylsulfanyl-pyrimidin-4-ylamino)-6-oxo-1,6-dihydro-pyridazin-3-yl]-phenyl}-benzamide 在 Oxone 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 6.08h， 以96%的产率得到4-tert-butyl-N-{3-[5-(2-methanesulfonyl-pyrimidin-4-ylamino)-1-methyl-6-oxo-1,6-dihydro-pyridazin-3-yl]-2-methyl-phenyl}-benzamide
  参考文献：
  名称：

  BTK protein kinase inhibitors

  摘要：

  这个申请公开了根据公式I的吡啶和嘧啶化合物，其中R1、R2、R3、R4、R5、X1和A如本文所述，可抑制Btk。所公开的化合物有助于调节Btk的活性，并治疗与Btk活性过度相关的疾病。这些化合物进一步用于治疗与异常B细胞增殖相关的炎症和自身免疫疾病，如类风湿性关节炎。还公开了包含公式I化合物和至少一种载体、稀释剂或助剂的组合物。

  公开号：

  US20090105209A1

文献信息

• Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof
  申请人：Race Oncology Ltd.

  公开号：US10548876B2

  公开（公告）日：2020-02-04

  The present invention describes methods and compositions for improving the therapeutic efficacy of therapeutic agents previously limited by suboptimal therapeutic performance by either improving efficacy as monotherapy or reducing side effects. Such methods and compositions are particularly applicable to bisantrene or derivatives, analogs, or prodrugs thereof.

  本发明描述了通过提高单一疗法的疗效或减少副作用来改善以前因治疗效果不理想而受到限制的治疗剂的疗效的方法和组合物。这些方法和组合物尤其适用于双蒽或其衍生物、类似物或原药。
• Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof
  申请人：Race Oncology Ltd.

  公开号：US11147800B2

  公开（公告）日：2021-10-19

  The present invention describes methods and compositions for improving the therapeutic efficacy of therapeutic agents previously limited by suboptimal therapeutic performance by either improving efficacy as monotherapy or reducing side effects. Such methods and compositions are particularly applicable to bisantrene or derivatives, analogs, or prodrugs thereof.

  本发明描述了通过提高单一疗法的疗效或减少副作用来改善以前因治疗效果不理想而受到限制的治疗剂的疗效的方法和组合物。这些方法和组合物尤其适用于双蒽或其衍生物、类似物或原药。
• NOVEL KINASE INHIBITORS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2205564B1

  公开（公告）日：2014-07-30
• COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS
  申请人：BROWN Dennis M.

  公开号：US20160067241A1

  公开（公告）日：2016-03-10

  The present invention describes methods and compositions for improving the therapeutic efficacy of therapeutic agents previously limited by suboptimal therapeutic performance by either improving efficacy as monotherapy or reducing side effects. Such methods and compositions are particularly applicable to naphthalimides such as amonafide or analogs, derivatives, or prodrugs thereof.
• COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF
  申请人：UPDATE PHARMA INC.

  公开号：US20160166546A1

  公开（公告）日：2016-06-16

  The present invention describes methods and compositions for improving the therapeutic efficacy of therapeutic agents previously limited by suboptimal therapeutic performance by either improving efficacy as monotherapy or reducing side effects. Such methods and compositions are particularly applicable to bisantrene or derivatives, analogs, or prodrugs thereof.