1H-吡咯-3-丙酸,5-(乙酯基)-2-甲酰基-4-甲基- | 168839-20-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 中文名称: 1H-吡咯-3-丙酸,5-(乙酯基)-2-甲酰基-4-甲基-
• 英文名称: 3-(5-ethoxycarbonyl-2-formyl-4-methyl-pyrrol-3-yl)-propionic acid
• 英文别名: 3-(5-Aethoxycarbonyl-2-formyl-4-methyl-pyrrol-3-yl)-propionsaeure；4-(2-carboxyethyl)-5-formyl-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester；3-[5-(Ethoxycarbonyl)-2-formyl-4-methyl-1H-pyrrol-3-yl]propanoic acid；3-(5-ethoxycarbonyl-2-formyl-4-methyl-1H-pyrrol-3-yl)propanoic acid
• CAS: 168839-20-1
• 化学式: C₁₂H₁₅NO₅
• 分子量: 253.255
• InChiKey: AWJNYXVKHLYGNZ-UHFFFAOYSA-N

物化性质

• 沸点：
  461.4±45.0 °C(Predicted)
• 密度：
  1.305±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  96.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1H-吡咯-3-丙酸,5-(乙酯基)-2-甲酰基-4-甲基- 在 氢氧化钾 作用下， 生成 2-Formyl-4-methyl-5-carboxy-pyrrol-3-propionsaeure
  参考文献：
  名称：

  Fischer; Andersag, Justus Liebigs Annalen der Chemie, 1927, vol. 458, p. 117,147

  摘要：

  DOI：
• 作为产物：
  描述：

  2-Brommethyl-4-methyl-5-ethoxycarbonyl-pyrrol-<β-propionsaeure>-(3) 在 吡啶 、 双氧水 作用下， 生成 1H-吡咯-3-丙酸,5-(乙酯基)-2-甲酰基-4-甲基-
  参考文献：
  名称：

  Hueni; Frank, Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1947, vol. 282, p. 96,103

  摘要：

  DOI：

文献信息

• 4-Heteroaryl-3-heteroarylidenyl-2-indolinones and their use as protein kinase inhibitors
  申请人：——

  公开号：US20020187978A1

  公开（公告）日：2002-12-12

  The present invention relates to certain 4-heteroaryl-3-heteroarylidenyl-2-indolinones compounds and their physiologically acceptable salts which modulate the activity of protein kinases (“PKs”), in particular CDK2. The compounds of the present invention are therefore useful in treating disorders related to abnormal PK activity. Pharmaceutical composition containing these compounds and methods of preparing these compounds are also described.

  本发明涉及某些4-杂环芳基-3-杂环芳基亚亚基-2-吲哚酮化合物及其生理上可接受的盐，这些化合物调节蛋白激酶（“PKs”）的活性，特别是CDK2。因此，本发明的化合物在治疗与异常PK活性相关的疾病方面是有用的。还描述了含有这些化合物的药物组合物以及制备这些化合物的方法。
• Oxidation of pyrrole α-methyl to formyl with ceric ammonium nitrate
  作者：Thomas Thyrann、David A. Lightner

  DOI：10.1016/0040-4039(95)00790-j

  日期：1995.6

  Pyrrole α-aldehydes can be prepared in high yield by oxidation of pyrrole α-methyl groups with ceric ammonium nitrate when the pyrrole ring also has an α-carboxylic acid ester group.

  当吡咯环也具有α-羧酸酯基时，可以通过用硝酸铈铵氧化吡咯α-甲基来高产率地制备吡咯α-醛。
• 4-heteroaryl-3-heteroarylidenyl-2-indolinones and their use as protein kinase inhibitors
  申请人：Sugen, Inc.

  公开号：US20040097497A1

  公开（公告）日：2004-05-20

  The present invention relates to certain 4-heteroaryl-3-heteroarylidenyl-2-indolinones compounds and their physiologically acceptable salts which modulate the activity of protein kinases (“PKs”), in particular CDK2. The compounds of the present invention are therefore useful in treating disorders related to abnormal PK activity. Pharmaceutical composition containing these compounds and methods of preparing these compounds are also described.

  本发明涉及某些4-杂环芳基-3-杂环芳基亚甲基-2-吲哚酮化合物及其生理上可接受的盐，其调节蛋白激酶（“PKs”）的活性，特别是CDK2。因此，本发明的化合物在治疗与异常PK活性相关的疾病方面是有用的。还描述了含有这些化合物的制药组合物和制备这些化合物的方法。
• 3-methylidenyl-2-indolinone modulators of protein kinase
  申请人：Sugen, Inc.

  公开号：US20040024010A1

  公开（公告）日：2004-02-05

  The present invention relates to novel 3-methylidenyl-2-indolinone compounds and physiologically acceptable salts and prodrugs thereof 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.

  本发明涉及新型的3-甲基亚烯基-2-吲哚酮化合物及其生理上可接受的盐和前药，这些化合物可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，如癌症方面具有用途。
• 3-Methylidenyl-2-indolinone modulators of protein kinase
  申请人：Sugen, Inc.

  公开号：US06531502B1

  公开（公告）日：2003-03-11

  The present invention relates to novel 3-methylidenyl-2-indolinone compounds and physiologically acceptable salts and prodrugs thereof 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.

  本发明涉及新型的3-甲基亚乙烯基-2-吲哚酮化合物及其生理上可接受的盐和前药，其调节蛋白激酶活性，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。