1-methyl-7-trityl-1,4,5,7-tetrahydro-1,6,7-triaza-as-indacene-2,3-dicarboxylic acid 2-tert-butyl ester 3-ethyl ester | 1031439-92-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 1-methyl-7-trityl-1,4,5,7-tetrahydro-1,6,7-triaza-as-indacene-2,3-dicarboxylic acid 2-tert-butyl ester 3-ethyl ester
• 英文别名: 2-O-tert-butyl 3-O-ethyl 1-methyl-7-trityl-4,5-dihydropyrrolo[2,3-e]indazole-2,3-dicarboxylate
• CAS: 1031439-92-5
• 化学式: C₃₇H₃₇N₃O₄
• 分子量: 587.718
• InChiKey: FGDQGRLSVYSWKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  44
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  75.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-methyl-7-trityl-1,4,5,7-tetrahydro-1,6,7-triaza-as-indacene-2,3-dicarboxylic acid 2-tert-butyl ester 3-ethyl ester 在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 1,4-二氧六环 为溶剂， 反应 4.0h， 以66%的产率得到1-methyl-1,6-dihydro-1,6,7-triaza-as-indacene-2,3-dicarboxylic acid 2-tert-butyl ester 3-ethyl ester
  参考文献：
  名称：

  WO2008/65054

  摘要：

  公开号：
• 作为产物：
  描述：

  7-trityl-1,4,5,7-tetrahydro-1,6,7-triaza-as-indacene-2,3-dicarboxylic acid 2-tert-butyl ester 3-ethyl ester 、 碘甲烷 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以98%的产率得到1-methyl-7-trityl-1,4,5,7-tetrahydro-1,6,7-triaza-as-indacene-2,3-dicarboxylic acid 2-tert-butyl ester 3-ethyl ester
  参考文献：
  名称：

  WO2008/65054

  摘要：

  公开号：

文献信息

• TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES
  申请人：Vanotti Ermes

  公开号：US20100075998A1

  公开（公告）日：2010-03-25

  The present invention provides tricyclic indoles and (4,5-dihydro) indoles of the formula (I) or a pharmaceutically acceptable salt thereof: wherein the ring A represents a fused pyrazole, pyridine or pyrimidine, means either simple or double carbon-carbon bond and R 1 , R 2 and R 3 are as defined in the specification. Further objects of the invention are a process for the preparation of the compounds of the formula (I), pharmaceutical compositions comprising them and methods for treating cell proliferative disorders. As a matter of fact, the compounds of the formula (I) are useful, in therapy, in the treatment of diseases associated with a disregulated protein kinase activity, in particular Cdc7 and AKT kinase activity, like cancer.

  本发明提供了三环吲哚和（4,5-二氢）吲哚的公式（I）或其药学上可接受的盐：其中环A代表融合的吡唑、吡啶或嘧啶，表示单重或双重碳-碳键，R1、R2和R3如规范中所定义。本发明的进一步目标是公式（I）化合物的制备方法，包含它们的制药组合物以及治疗细胞增殖性疾病的方法。事实上，公式（I）化合物在治疗与失调的蛋白激酶活性有关的疾病，特别是Cdc7和AKT激酶活性，如癌症方面非常有用。
• Tricyclic indoles and (4,5-dihydro) indoles
  申请人：Nerviano Medical Sciences S.R.L.

  公开号：US08207180B2

  公开（公告）日：2012-06-26

  The present invention provides tricyclic indoles and (4,5-dihydro) indoles of the formula (I) or a pharmaceutically acceptable salt thereof: wherein the ring A represents a fused pyrazole, pyridine or pyrimidine, means either simple or double carbon-carbon bond and R1, R2 and R3 are as defined in the specification. Further objects of the invention are a process for the preparation of the compounds of the formula (I), pharmaceutical compositions comprising them and methods for treating cell proliferative disorders. As a matter of fact, the compounds of the formula (I) are useful, in therapy, in the treatment of diseases associated with a disregulated protein kinase activity, in particular Cdc7 and AKT kinase activity, like cancer.

  本发明提供了式(I)或其药学上可接受的盐的三环吲哚和(4,5-二氢)吲哚，其中环A代表融合的吡唑、吡啶或嘧啶，表示单一或双重碳-碳键，而R1、R2和R3如规范中所定义。本发明的进一步目的是提供式(I)化合物的制备方法、包含它们的制药组合物以及治疗细胞增殖障碍的方法。事实上，式(I)化合物在治疗与蛋白激酶活性失调有关的疾病，特别是Cdc7和AKT激酶活性，如癌症方面是有用的。
• [EN] TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES<br/>[FR] INDOLES ET 4,5-DIHYDROINDOLES TRICYCLIQUES
  申请人：NERVIANO MEDICAL SCIENCES SRL

  公开号：WO2008065054A1

  公开（公告）日：2008-06-05

  [EN] The present invention provides tricyclic indoles and (4,5-dihydro) indoles of the formula (I) or a pharmaceutically acceptable salt thereof: wherein the ring A represents a fused pyrazole, pyridine or pyrimidine, ----- means either simple or double carbon-carbon bond and R₁, R₂ and R₃ are as defined in the specification. Further objects of the invention are a process for the preparation of the compounds of the formula (I), pharmaceutical compositions comprising them and methods for treating cell proliferative disorders. As a matter of fact, the compounds of the formula (I) are useful, in therapy, in the treatment of diseases associated with a disregulated protein kinase activity, in particular Cdc7 and AKT kinase activity, like cancer.
  [FR] La présente invention concerne des indoles et 4,5-dihydroindoles tricycliques de formule (I) ou un sel acceptable du point de vue pharmaceutique de ceux-ci : dans laquelle le cycle A représente un cycle pyrazole, pyridine ou pyrimidine fusionné, - - - représente une liaison carbone-carbone soit simple soit double et R1, R2 et R3 sont tels que définis dans la description. L'invention concerne en outre un procédé pour la préparation des composés de formule (I), des compositions pharmaceutiques comprenant ceux-ci et des procédés servant à traiter des troubles de type prolifération de cellules. En fait, les composés de formule (I) sont utiles, en thérapie, dans le traitement de maladies associées à une activité dérégulée de protéines kinases, en particulier une activité des kinases Cdc7 et AKT, telles que le cancer.