3-methyl-4-(4-methyl-piperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde | 442563-22-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 3-methyl-4-(4-methyl-piperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde
• 英文别名: 3-methyl-4-(4-methyl-piperazine-carbonyl)-1H-pyrrole-2-carbaldehyde；3-methyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde
• CAS: 442563-22-6
• 化学式: C₁₂H₁₇N₃O₂
• 分子量: 235.286
• InChiKey: AQQVHWBLRLKZLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  56.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(3-chloro-4-fluoro-phenylamino)-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-one 、 3-methyl-4-(4-methyl-piperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde 在 哌啶 乙醇 作用下， 以 乙醇 为溶剂， 反应 96.0h， 以to give 63 mg (51%) of the title compound as a yellow solid的产率得到4-(3-CHLORO-4-FLUORO-PHENYLAMINO)-5-[3-METHYL-4-(4-METHYL-PIPERAZINE-1-CARBONYL)-1H-PYRROL-2-YLMETHYLENE]-5,7-DIHYDRO-PYRROLO [2.3-D]PYRIMIDIN-6-ONE
  参考文献：
  名称：

  4-substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors

  摘要：

  本发明涉及4-取代的7-氮杂吲哚-2-酮及其作为蛋白激酶抑制剂的用途。本文所披露的特定4-取代的7-氮杂吲哚-2-酮是公式11及其药学上可接受的盐、溶剂合物、包合物和前药，其中R1、R2、R3、R4、X、Y和Z在此定义。本发明还涉及包含公式1化合物的制药组合物和剂型，以及它们用于治疗和/或预防癌症等疾病的方法。

  公开号：

  US20020183319A1
• 作为产物：
  描述：

  5-甲酰基-4-甲基-1H-吡咯-3-羧酸乙酯 在 氢氧化钾 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三乙胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 3-methyl-4-(4-methyl-piperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde
  参考文献：
  名称：

  Rational design of 4,5-disubstituted-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-ones as a novel class of inhibitors of epidermal growth factor receptor (EGF-R) and Her2(p185erbB) tyrosine kinases

  摘要：

  A novel class of 4,5-disubstituted-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-ones has been discovered as potent and selective inhibitors of the EGF-R tyrosine kinase family. These compounds selectively inhibit EGF-R kinase activity at low nanomolar concentration and tyrosine autophosphorylation in cells expressing EGF-R or Her2 (p185(erbB)). Structure-activity relationships (SARs) for this class of compounds are presented. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00364-5

文献信息

• 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS
  申请人：SUGEN, INC.

  公开号：US20030125370A1

  公开（公告）日：2003-07-03

  The present invention relates to certain 5-aralkylsulfonyl-3-(pyrrol-2-yl-methylidene)-2-indolinone derivatives that inhibit kinases, in particular met kinase. Pharmaceutical compositions comprising these compounds, methods of treating diseases mediated by kinases utilizing pharmaceutical compositions comprising these compounds, and methods of preparing them are also disclosed.

  本发明涉及某些抑制激酶的5-烷基磺酰基-3-(吡咯-2-基甲烯基)-2-吲哚酮衍生物，特别是met激酶。还公开了包含这些化合物的药物组合物、利用包含这些化合物的药物组合物治疗激酶介导的疾病的方法，以及它们的制备方法。
• 4-aryl substituted indolinones
  申请人：Sugen, Inc.

  公开号：US20030069297A1

  公开（公告）日：2003-04-10

  The present invention relates to 4-arylindolinones, as well as pharmaceutical compositions thereof, capable of modulating protein kinase signal transduction in order to regulate, modulate and/or inhibit abnormal cell proliferation. The present invention also relates to methods for treating protein kinase related disorders.

  本发明涉及4-芳基吲哚酮，以及其药物组合物，能够调节蛋白激酶信号传导，以调节、调节和/或抑制异常细胞增殖。本发明还涉及治疗蛋白激酶相关疾病的方法。
• 4-substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors
  申请人：——

  公开号：US20020183319A1

  公开（公告）日：2002-12-05

  This invention relates to 4-substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors. Particular 4-substituted 7-aza-indolin-2-ones disclosed herein are of Formula 1 1 and pharmaceutically acceptable salts, solvates, clathrates, and prodrugs thereof, wherein R 1 , R 2 , R 3 , R 4 , X, Y, and Z are defined herein. The invention fuirther relates to pharmaceutical compositions and dosage forms comprising compounds of Formula 1 and to methods of their use for the treatment and/or prevention of diseases such as, but not limited to, cancer.

  该发明涉及4-取代的7-氮杂吲哚-2-酮及其作为蛋白激酶抑制剂的用途。本文披露的特定4-取代的7-氮杂吲哚-2-酮属于第11式和其药学上可接受的盐、溶剂合物、包合物和前药，其中R1、R2、R3、R4、X、Y和Z在此定义。该发明还涉及包含第1式化合物的药物组合物和剂型，以及其用于治疗和/或预防癌症等疾病的方法。
• [EN] 4-SUBSTITUTED 7-AZA-INDOLIN-2-ONES AND THEIR USE AS PROTEIN KINASE INHIBITORS<br/>[FR] 7-AZA-INDOLINE-2-ONES SUBSTITUES EN 4 ET LEUR UTILISATION COMME INHIBITEURS DE PROTEINE KINASE
  申请人：SUGEN INC

  公开号：WO2001046196A1

  公开（公告）日：2001-06-28

  This invention relates to 4-substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors. Particular 4-substituted 7-aza-indolin-2-ones disclosed herein are of formula (1) and pharmaceuitaclly acceptable salts, solvates, clathrates, and prodrugs thereof, wherein R1, R2, R3, R4, X, Y, and Z are defined herein. The invention further relates to pharmaceutical compositions and dosage forms comprising compounds of formula (1) and to methods of their use for the treatment and/or prevention of diseases such as, but not limited to, cancer.

  本发明涉及4-取代的7-氮杂吲哚-2-酮及其作为蛋白激酶抑制剂的用途。特别是，在此披露的4-取代的7-氮杂吲哚-2-酮的公式（1）及其药物可接受的盐，溶剂合物，包合物和前药，其中R1，R2，R3，R4，X，Y和Z在此定义。本发明还涉及包含公式（1）化合物的制药组合物和剂型，以及它们用于治疗和/或预防癌症等疾病的方法，但不限于此。
• 4-Aryl substituted indolinones
  申请人：Sugen, Inc.

  公开号：US20040157909A1

  公开（公告）日：2004-08-12

  The present invention relates to 4-arylindolinones, as well as pharmaceutical compositions thereof, capable of modulating protein kinase signal transduction in order to regulate, modulate and/or inhibit abnormal cell proliferation. The present invention also relates to methods for treating protein kinase related disorders.

  本发明涉及4-芳基吲哚酮，以及其制药组合物，能够调节蛋白激酶信号传导，以调节、调节和/或抑制异常细胞增殖。本发明还涉及用于治疗蛋白激酶相关疾病的方法。