5-chloro-9-methyl-8,9-dihydro-7H-6-oxa-1,2,3a,4,9-pentaaza-cyclopenta[a]naphthalene | 1313733-47-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 5-chloro-9-methyl-8,9-dihydro-7H-6-oxa-1,2,3a,4,9-pentaaza-cyclopenta[a]naphthalene
• 英文别名: 5-chloro-9-methyl-8,9-dihydro-7H-6-oxa-1,2,3a,4,9-pentaaza-benz[e]indene；8-Chloro-13-methyl-10-oxa-3,4,6,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene；8-chloro-13-methyl-10-oxa-3,4,6,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene
• CAS: 1313733-47-9
• 化学式: C₈H₈ClN₅O
• 分子量: 225.637
• InChiKey: PFCIZKDMMRGLEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  55.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  8-氯3,4-二氢-4-甲基-2H-哒嗪[4,5-B]并[1,4]恶嗪 在 N-氯代丁二酰亚胺 作用下， 以 乙腈 、 正丁醇 为溶剂， 反应 3.0h， 生成 5-chloro-9-methyl-8,9-dihydro-7H-6-oxa-1,2,3a,4,9-pentaaza-cyclopenta[a]naphthalene 、 5-chloro-6-methyl-7,8-dihydro-6H-9-oxa-1,2,3a,4,6-pentaaza-cyclopenta[a]naphthalene
  参考文献：
  名称：

  [EN] 6, 7-RING-FUSED TRIAZOLO [4, 3 - B] PYRIDAZINE DERIVATIVES AS PIM INHIBITORS
  [FR] DÉRIVÉS DE TRIAZOLO[4,3-B]PYRIDAZINES AU CYCLE 6,7 FUSIONNÉ UTILISÉS EN TANT QU'INHIBITEURS DE PIM

  摘要：

  提供了式I的化合物，其中R1、R2、R3和R4（以及-CH2-CH2基团）的含义如描述中所示，并且其药学上可接受的酯、酰胺、溶剂合物或盐，这些化合物在治疗需要或期望抑制蛋白激酶或脂质激酶（例如PIM家族激酶，如PIM-1、PIM-2和/或PIM-3）的疾病中非常有用，特别是在癌症或增生性疾病的治疗中。

  公开号：

  WO2012098387A1

文献信息

• Tricyclic Compounds for Use as Kinase Inhibitors
  申请人：Pastor Fernandez Joaquin

  公开号：US20130065881A1

  公开（公告）日：2013-03-14

  There is provided compounds of formula (I), wherein R 1 , R 2 , R 3 and R 4 have meanings given in the description (and which compounds are optionally substituted as indicated in the description), and pharmaceutically-acceptable esters, amides, solvates or salts thereof, which compounds are useful in the treatment of diseases in which inhibition of a protein or lipid kinase (e.g. a PIM family kinase, such as PIM-1, PIM-2 and/or PIM-3) is desired and/or required, and particularly in the treatment of cancer or a proliferative disease. There is also provided combinations comprising the compounds of formula (I).

  提供了公式（I）的化合物，其中R1、R2、R3和R4的含义如描述中所示（并且这些化合物根据描述中所示可以选择性地被取代），以及其药学上可接受的酯、酰胺、溶剂化物或盐，这些化合物在治疗需要或期望抑制蛋白质或脂质激酶（例如PIM家族激酶，如PIM-1、PIM-2和/或PIM-3）的疾病中有用，特别是在治疗癌症或增殖性疾病方面。还提供了包含公式（I）化合物的组合物。
• TRICYCLIC COMPOUNDS FOR USE AS KINASE INHIBITORS
  申请人：Centro Nacional de Investigaciones Oncológicas (CNIO)

  公开号：EP2519526B1

  公开（公告）日：2014-03-26
• US9682991B2
  申请人：——

  公开号：US9682991B2

  公开（公告）日：2017-06-20
• [EN] TRICYCLIC COMPOUNDS FOR USE AS KINASE INHIBITORS<br/>[FR] COMPOSÉS TRICYCLIQUES POUR UNE UTILISATION COMME INHIBITEURS DE LA KINASE
  申请人：CT NAC INVESTIGACIONES ONCOLOGICAS CNIO

  公开号：WO2011080510A1

  公开（公告）日：2011-07-07

  There is provided compounds of formula (I), wherein R1, R2, R3 and R4 have meanings given in the description (and which compounds are optionally substituted as indicated in the description), and pharmaceuticaϋy-acceptable esters, amides, solvates or salts thereof, which compounds are useful in the treatment of diseases in which inhibition of a protein or lipid kinase (e.g. a PIM family kinase, such as PIM-1, PlM-2 and/or PIM-3) is desired and/or required, and particularly in the treatment of cancer or a proliferative disease. There is also provided combinations comprising the compounds of formula (I).
• [EN] 6, 7-RING-FUSED TRIAZOLO [4, 3 - B] PYRIDAZINE DERIVATIVES AS PIM INHIBITORS<br/>[FR] DÉRIVÉS DE TRIAZOLO[4,3-B]PYRIDAZINES AU CYCLE 6,7 FUSIONNÉ UTILISÉS EN TANT QU'INHIBITEURS DE PIM
  申请人：CT NAC INVESTIGACIONES ONCOLOGICAS CNIO

  公开号：WO2012098387A1

  公开（公告）日：2012-07-26

  There is provided compounds of formula I, wherein R1, R2, R3 and R4 (and the -CH2-CH2 moiety) have meanings given in the description, and pharmaceutically-acceptable esters, amides, solvates or salts thereof, which compounds are useful in the treatment of diseases in which inhibition of a protein or lipid kinase (e.g. a PIM family kinase, such as PIM-1, PIM-2 and/or PIM-3) is desired and/or required, and particularly in the treatment of cancer or a proliferative disease.

  提供了式I的化合物，其中R1、R2、R3和R4（以及-CH2-CH2基团）的含义如描述中所示，并且其药学上可接受的酯、酰胺、溶剂合物或盐，这些化合物在治疗需要或期望抑制蛋白激酶或脂质激酶（例如PIM家族激酶，如PIM-1、PIM-2和/或PIM-3）的疾病中非常有用，特别是在癌症或增生性疾病的治疗中。