3-(5-甲酰基-4-甲基-1H-吡咯-2-基)丙酸 | 346600-22-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-(5-甲酰基-4-甲基-1H-吡咯-2-基)丙酸
• 英文名称: 3-(5-formyl-4-methyl-1H-pyrrol-2-yl)-propionic acid
• 英文别名: 3-(5-Formyl-4-methyl-1H-pyrrol-2-yl)propanoic acid
• CAS: 346600-22-4
• 化学式: C₉H₁₁NO₃
• mdl: MFCD18810253
• 分子量: 181.191
• InChiKey: PXIGFLSQHLOHCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  70.2
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  4-(3-chloro-4-fluoro-phenylamino)-7-methyl-5,7-dihydro-pyrrolo [2,3-d]pyrimidin-6-one 、 3-(5-甲酰基-4-甲基-1H-吡咯-2-基)丙酸 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以to give 31 mg (20%) of the title compound的产率得到3-{5-[4-(3-Chloro-4-fluoro-phenylamino)-7-methyl-6-oxo-6,7-dihydro-pyrrolo [2,3-D]pyrimidin-5-ylidenemethyl]-4-methyl-1H-pyrrol-2-YL}-propionic acid
  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-Formyl-3-methyl-1H-pyrrol-2-carbonsaeure-ethylester 在 1% Pd/C lithium hydroxide 、 potassium tert-butylate 、 氢气 、 三氟乙酸 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 3-(5-甲酰基-4-甲基-1H-吡咯-2-基)丙酸
  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

• [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-Substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors
  申请人：SUGEN, INC.

  公开号：US20040053924A1

  公开（公告）日：2004-03-18

  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 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。本文披露的特定4-取代的7-氮杂吲哚-2-酮属于公式11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。本发明还涉及包含公式1化合物的制药组合物和剂型，以及其用于治疗和/或预防癌症等疾病的方法。
• 4-substituted 7-AZA-indolin-2-ones and their use as protein kinase inhibitors
  申请人：Liang Congxin

  公开号：US06908930B2

  公开（公告）日：2005-06-21

  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 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 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。本文所披露的特定的4-取代的7-氮杂吲哚-2-酮为式1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。本发明还涉及包含式1化合物的制药组合物和剂型，以及其用于治疗和/或预防癌症等疾病的方法，但不限于此。
• NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES
  申请人：DRATZ Edward

  公开号：US20100252433A1

  公开（公告）日：2010-10-07

  The invention relates to compositions and methods useful in the labeling and identification of changes in protein levels, changes in enzyme activity, and changes in protein modification. The invention provides for highly soluble optical labeling molecules which are optionally cleavable after separation of mixtures of labeled proteins into components. These optical labeling molecules find utility in a variety of applications, including use in the field of proteomics.

  本发明涉及用于标记和识别蛋白质水平变化、酶活性变化和蛋白质修饰变化的组合物和方法。本发明提供了高度溶解的光学标记分子，这些分子在将标记蛋白质的混合物分离成组分后可选择性地被裂解。这些光学标记分子在各种应用中具有实用性，包括在蛋白质组学领域的应用。
• 4-SUBSTITUTED 7-AZA-INDOLIN-2-ONES AND THEIR USE AS PROTEIN KINASE INHIBITORS
  申请人：Sugen, Inc.

  公开号：EP1244672A1

  公开（公告）日：2002-10-02