cyclobutanecarboxylic acid {3-[2-(4-oxazol-5-yl-phenylamino)-pyrrolo[2,3-d]pyrimidin-7-yl]-propyl}-amide | 1243268-60-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: cyclobutanecarboxylic acid {3-[2-(4-oxazol-5-yl-phenylamino)-pyrrolo[2,3-d]pyrimidin-7-yl]-propyl}-amide
• 英文别名: N-[3-[2-[4-(1,3-oxazol-5-yl)anilino]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]cyclobutanecarboxamide
• CAS: 1243268-60-1
• 化学式: C₂₃H₂₄N₆O₂
• 分子量: 416.483
• InChiKey: XLGHMHOCMLFSOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  97.9
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-(3-(2-chloro-7H-pyrrolo [2,3-d]pyrimidin-7-yl)propyl)cyclobutanecarboxamide 、 4-(5-噁唑基)苯胺 在 tris-(dibenzylideneacetone)dipalladium(0) 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 sodium t-butanolate 作用下， 以 1,4-二氧六环 为溶剂， 以34%的产率得到cyclobutanecarboxylic acid {3-[2-(4-oxazol-5-yl-phenylamino)-pyrrolo[2,3-d]pyrimidin-7-yl]-propyl}-amide
  参考文献：
  名称：

  [EN] PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS
  [FR] PYRROLOPYRIMIDINES UTILISÉES EN TANT QU'INHIBITEURS DE KINASES

  摘要：

  该发明涉及公式(I)的化合物，或其药学上可接受的盐或酯，其中：R1为-NR7(CO)R11；R2为芳基、杂环芳基、融合芳基-C3-6-杂环烷基或融合杂环芳基-C3-6-杂环烷基，每个基均可选择性地取代；每个R7从氢、C1-6-烷基和C3-7-环烷基中选择，其中所述C1-6-烷基可选择性地通过一个或多个卤素取代；每个R11独立地从C1-6-烷基、C3-7-环烷基、C1-6-烷基-C3-7-环烷基、C^-杂环烷基、芳基和杂环芳基中选择，每个基均可选择性地取代。该发明的进一步方面涉及包含相同化合物的药物组合物，以及治疗或预防从癌症、脓毒性休克、原发性开角青光眼（POAG）、增生、类风湿性关节炎、牛皮癣、动脉粥样硬化、视网膜病变、骨关节炎、子宫内膜异位症、慢性炎症和阿尔茨海默病中选择的紊乱的方法。该发明的另一个方面涉及上述化合物在制备用于预防或治疗由任何异常激酶活性引起、相关或伴随的紊乱的药物中的使用，其中该激酶从TBK1、ERK8、CDK2、MARK3、YES1、VEG-FR、IKKepsilon和其组合中选择。

  公开号：

  WO2010100431A1

文献信息

• PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS
  申请人：Mciver Edward Giles

  公开号：US20120088753A1

  公开（公告）日：2012-04-12

  The invention relates to a compound of formula (I), or a pharmaceutically acceptable salt or ester thereof, wherein: R 1 is —NR 7 (CO)R 11 ; R 2 is aryl, heteroaryl, fused aryl-C 3-6- heterocycloalkyl or fused heteroaryl-C 3-6- heterocycloalkyl, each of which is optionally substituted; each R 7 is selected from hydrogen, C 1-6- alkyl and C 3-7- cycloalkyl, wherein said C1-6-alkyl is optionally substituted by one or more halogens; each R 11 is independently selected from C 1-6 -alkyl, C 3-7- cycloalkyl, C 1-6 alkyl-C 3-7- cycloalkyl, Ĉ-heterocycloalkyl, aryl and heteroaryl, each of which may be optionally substituted. Further aspects of the invention relate to pharmaceutical compositions comprising the same, and methods for treating or preventing a disorder selected from cancer, septic shock, Primary open Angle Glaucoma (POAG), hyperplasia, rheumatoid arthritis, psoriasis, artherosclerosis, retinopathy, osteoarthritis, endometriosis, chronic inflammation and Alzheimer's disease. Another aspect of the invention relates to the use of a compound as described above in the preparation of a medicament for the prevention or treatment of a disorder caused by, associated with or accompanied by any abnormal kinase activity, wherein the kinase is selected from TBK1, ERK8, CDK2, MARK3, YES1, VEG-FR, IKKepsilon and combinations thereof.

  本发明涉及一种式（I）的化合物，或其药学上可接受的盐或酯，其中：R1为—NR7（CO）R11；R2为芳基，杂环芳基，融合芳基-C3-6-杂环烷基或融合杂环芳基-C3-6-杂环烷基，每个基团均可选择性地被取代；每个R7为氢、C1-6-烷基和C3-7-环烷基，其中所述的C1-6-烷基可被一个或多个卤素取代；每个R11是独立选择的C1-6-烷基，C3-7-环烷基，C1-6-烷基-C3-7-环烷基，Ĉ-杂环烷基，芳基和杂环芳基，每个基团均可选择性地被取代。本发明的另一方面涉及包含上述化合物的制药组合物，以及治疗或预防癌症、败血症、原发性开角青光眼（POAG）、增生、类风湿性关节炎、银屑病、动脉粥样硬化、视网膜病变、骨关节炎、子宫内膜异位症、慢性炎症和阿尔茨海默病等疾病的方法。本发明的另一方面涉及使用上述化合物制备药物，用于预防或治疗由任何异常激酶活性引起、与之相关或伴随的疾病，其中激酶选择自TBK1、ERK8、CDK2、MARK3、YES1、VEG-FR、IKKepsilon及其组合。
• PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS
  申请人：Medical Research Council Technology

  公开号：EP2403853B1

  公开（公告）日：2013-08-14
• Phosphatase Binding Compounds and Methods of Using Same
  申请人：Yale University

  公开号：US20200268897A1

  公开（公告）日：2020-08-27

  The present invention provides bifunctional compounds that efficiently dephosphorylate certain phospho-activated target proteins. Such target proteins can be any protein involved in the pathway of a disease or disorder, such as but not limited to cancer, neurodegeneration, metabolic disease, diabetes, insulin resistance, and so forth.
• [EN] PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS<br/>[FR] PYRROLOPYRIMIDINES UTILISÉES EN TANT QU'INHIBITEURS DE KINASES
  申请人：MEDICAL RES COUNCIL TECHNOLOGY

  公开号：WO2010100431A1

  公开（公告）日：2010-09-10

  The invention relates to a compound of formula (I), or a pharmaceutically acceptable salt or ester thereof, wherein: R1 is -NR7(CO)R11; R2 is aryl, heteroaryl, fused aryl-C3-6-heterocycloalkyl or fused heteroaryl-C3-6- heterocycloalkyl, each of which is optionally substituted; each R7 is selected from hydrogen, C1-6-alkyl and C3-7-cycloalkyl, wherein said C1-6-alkyl is optionally substituted by one or more halogens; each R11 is independently selected from C1-6-alkyl, C3-7-cycloalkyl, C1-6alkyl-C3-7-cycloalkyl, C^-heterocycloalkyl, aryl and heteroaryl, each of which may be optionally substituted. Further aspects of the invention relate to pharmaceutical compositions comprising the same, and methods for treating or preventing a disorder selected from cancer, septic shock, Primary open Angle Glaucoma (POAG), hyperplasia, rheumatoid arthritis, psoriasis, artherosclerosis, retinopathy, osteoarthritis, endometriosis, chronic inflammation and Alzheimer's disease. Another aspect of the invention relates to the use of a compound as described above in the preparation of a medicament for the prevention or treatment of a disorder caused by, associated with or accompanied by any abnormal kinase activity, wherein the kinase is selected from TBK1, ERK8, CDK2, MARK3, YES1, VEG-FR, IKKepsilon and combinations thereof.

  该发明涉及公式(I)的化合物，或其药学上可接受的盐或酯，其中：R1为-NR7(CO)R11；R2为芳基、杂环芳基、融合芳基-C3-6-杂环烷基或融合杂环芳基-C3-6-杂环烷基，每个基均可选择性地取代；每个R7从氢、C1-6-烷基和C3-7-环烷基中选择，其中所述C1-6-烷基可选择性地通过一个或多个卤素取代；每个R11独立地从C1-6-烷基、C3-7-环烷基、C1-6-烷基-C3-7-环烷基、C^-杂环烷基、芳基和杂环芳基中选择，每个基均可选择性地取代。该发明的进一步方面涉及包含相同化合物的药物组合物，以及治疗或预防从癌症、脓毒性休克、原发性开角青光眼（POAG）、增生、类风湿性关节炎、牛皮癣、动脉粥样硬化、视网膜病变、骨关节炎、子宫内膜异位症、慢性炎症和阿尔茨海默病中选择的紊乱的方法。该发明的另一个方面涉及上述化合物在制备用于预防或治疗由任何异常激酶活性引起、相关或伴随的紊乱的药物中的使用，其中该激酶从TBK1、ERK8、CDK2、MARK3、YES1、VEG-FR、IKKepsilon和其组合中选择。