4-benzoyl-3,5-dimethyl-pyrrole-2-carboxylic acid | 356068-84-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-benzoyl-3,5-dimethyl-pyrrole-2-carboxylic acid
• 英文别名: 4-Benzoyl-3,5-dimethyl-pyrrol-2-carbonsaeure；4-benzoyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
• CAS: 356068-84-3
• 化学式: C₁₄H₁₃NO₃
• 分子量: 243.262
• InChiKey: OATIKJUTQNHBSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  70.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-benzoyl-3,5-dimethyl-pyrrole-2-carboxylic acid 生成 3-benzoyl-2,4-dimethylpyrrole
  参考文献：
  名称：

  Fischer; Hansen, Justus Liebigs Annalen der Chemie, 1936, vol. 521, p. 128,142

  摘要：

  DOI：
• 作为产物：
  描述：

  4-benzoyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester 在 sodium hydroxide 作用下， 生成 4-benzoyl-3,5-dimethyl-pyrrole-2-carboxylic acid
  参考文献：
  名称：

  Fischer; Hansen, Justus Liebigs Annalen der Chemie, 1936, vol. 521, p. 128,142

  摘要：

  DOI：

文献信息

• Formulations for pharmaceutical agents ionizable as free acids or free bases
  申请人：Shenoy Narmada

  公开号：US06878733B1

  公开（公告）日：2005-04-12

  The present invention features formulations of indolinones which compounds are ionizable as free acids or free bases. The formulation is suitable for parenteral or oral administration, wherein the formulation comprises an ionizable substituted indolinone, and a pharmaceutically acceptable carrier therefor. The term “ionizable substituted indolinone” includes pyrrole substituted 2-indolinones which, in addition to being otherwise optionally substituted on both the pyrrole and 2-indolinone portions of the compound, are necessarily substituted on the pyrrole moiety with one or more hydrocarbon chains which themselves are substituted with at least one polar group. The formulations and the compounds themselves are useful for the treatment of protein kinase related disorders as discussed herein.

  本发明涉及吲哚酮的配方，这些化合物作为游离酸或游离碱是可离子化的。该配方适用于静脉或口服给药，其中配方包括可离子化的取代吲哚酮和其药用可接受载体。术语“可离子化的取代吲哚酮”包括吡咯取代的2-吲哚酮，除了在化合物的吡咯和2-吲哚酮部分上可选择地被取代外，必须在吡咯基上用一个或多个烃链取代，这些烃链本身被至少一个极性基团取代。如本文所述，这些配方和化合物本身对于治疗蛋白激酶相关疾病是有用的。
• Combination therapy for the treatment of cancer
  申请人：Pharmacia Corporation

  公开号：US20030216410A1

  公开（公告）日：2003-11-20

  The present invention relates to methods for treatment or prevention of neoplasia disorders using protein tyrosine kinase inhibitors in combination with cyclooxygenase inhibitors, in particular cyclooxygenase-2 selective inhibitors.

  本发明涉及使用蛋白酪氨酸激酶抑制剂与环氧合酶抑制剂，特别是环氧合酶-2选择性抑制剂，联合治疗或预防肿瘤性疾病的方法。
• Pyrrole substituted 2-indolinone protein kinase inhibitors
  申请人：——

  公开号：US20020156292A1

  公开（公告）日：2002-10-24

  The present invention relates to pyrrole substituted 2 -indolinone compounds and their pharmaceutically acceptable salts which modulate the activity of protein kinases and therefore are expected to be useful in the prevention and treatment of protein kinase related cellular disorders such as cancer.

  本发明涉及吡咯替代的2-吲哚酮化合物及其药学上可接受的盐，这些化合物调节蛋白激酶的活性，因此预计在预防和治疗蛋白激酶相关的细胞疾病，如癌症方面具有用处。
• [EN] PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS<br/>[FR] INHIBITEURS DE LA PROTEINE KINASE 2-INDOLINONE A SUBSTITUTION PYRROLE
  申请人：SUGEN INC

  公开号：WO2001060814A2

  公开（公告）日：2001-08-23

  The present invention relates to pyrrole substituted 2-indolinone compounds of formula (I): and their pharmaceutically acceptable salts which modulate the activity of protein kinases and therefor are expected to be useful in the prevention and treatment of protein kinase related cellular disorders such as cancer.

  本发明涉及式(I)的吡咯取代的2-吲哚酮化合物及其药学上可接受的盐，该化合物可以调节蛋白激酶的活性，因此预计在预防和治疗蛋白激酶相关的细胞疾病，如癌症方面有用。
• Indolinone protein kinase inhibitors and cyclooxygenase inhibitors for use in combination therapy for the treatment of cancer
  申请人：Sugen, Inc

  公开号：US07320996B2

  公开（公告）日：2008-01-22

  The present invention relates to methods for treatment or prevention of neoplasia disorders using protein tyrosine kinase inhibitors of the formula I: wherein R1, R2, R3, R4, R5, R6, and R7 are defined herein, in combination with cyclooxygenase inhibitors, in particular cyclooxygenase-2 selective inhibitors.

  本发明涉及使用公式I的蛋白酪氨酸激酶抑制剂的方法，用于治疗或预防肿瘤性疾病，其中R1、R2、R3、R4、R5、R6和R7在此定义，并与环氧化酶抑制剂，特别是环氧化酶-2选择性抑制剂结合使用。