3-(2-乙氧基羰基-乙基)-苯甲酸 | 874204-67-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(2-乙氧基羰基-乙基)-苯甲酸
• 中文别名: 3-(3-乙氧基-3-氧代丙基)苯甲酸
• 英文名称: 3-(2-ethoxycarbonylethyl)benzoic acid
• 英文别名: 3-(3-ethoxy-3-oxopropyl)benzoic acid
• CAS: 874204-67-8
• 化学式: C₁₂H₁₄O₄
• 分子量: 222.241
• InChiKey: ASRCHPWZOMNVMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  3-(2-乙氧基羰基-乙基)-苯甲酸 在 sodium hydroxide 、 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 3.5h， 生成 3-[3-(4-Isobutoxy-benzoyl)-phenyl]-propionic acid
  参考文献：
  名称：

  Discovery of Nonpeptidic Small-Molecule AP-1 Inhibitors:  Lead Hopping Based on a Three-Dimensional Pharmacophore Model

  摘要：

  We designed and synthesized small-molecule activator protein-1 (AP-1) inhibitors based on a three-dimensional (3D) pharmacophore model that we had previously derived from a cyclic decapeptide exhibiting AP-1 inhibitory activity. New AP-1 inhibitors with a 1-thia-4-azaspiro[4.5]decane or a benzophenone scaffold, which inhibit the DNA-binding and transactivation activities of AP-1, were discovered using a "lead hopping" procedure. An additional investigation of the benzophenone analogues confirmed the reliability of the pharmacophore model, its utility to discover AP-1 inhibitors, and the potency of the benzophenone derivatives as a lead series.

  DOI：

  10.1021/jm050550d
• 作为产物：
  描述：

  3-[(1E)-3-乙氧基-3-氧代-1-丙烯-1-基]苯甲酸 在 钯 氢气 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以to give the title compound (8.70 g) as a white amorphous solid的产率得到3-(2-乙氧基羰基-乙基)-苯甲酸
  参考文献：
  名称：

  AROMATIC RING COMPOUND

  摘要：

  提供了一种具有GPR40激动剂活性的芳香环化合物。 公式（I）所表示的化合物：其中每个符号如说明书中所述，或其盐具有GPR40激动剂活性，并且可用作糖尿病等疾病的预防或治疗剂。

  公开号：

  US20150018422A1

文献信息

• Medicaments for the Treatment or Prevention of Fibrotic Diseases
  申请人：Park Edward John

  公开号：US20060142373A1

  公开（公告）日：2006-06-29

  The present invention relates to the use of indolinones of general formula substituted in the 6 position, wherein R 1 to R 5 and X are defined as in claim 1, the isomers and the salts thereof, particularly the physiologically acceptable salts thereof, as a medicament for the prevention or treatment of specific fibrotic diseases.

  本发明涉及使用一般公式中6位取代的吲哚酮，其中R1至R5和X的定义如权利要求1中所述，其异构体和盐，特别是其生理上可接受的盐，作为预防或治疗特定纤维化疾病的药物。
• Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments
  申请人：Roth Juergen Gerald

  公开号：US20050043389A1

  公开（公告）日：2005-02-24

  The present invention relates to indolinone derivatives, substituted in the 6-position, of the formula in which R 1 to R 6 and X are as defined in claim 1, to their tautomers, enantiomers, diastereomers, to their mixtures and to their salts, in particular their physiologically acceptable salts, which have useful pharmacological properties, in particular in inhibiting action on various receptor tyrosine kinases and on the proliferation of endothelial cells and various tumour cells, to medicaments comprising these compounds, to their use and to processes for their preparation.

  本发明涉及6-位取代的吲哚酮衍生物，其化学式为其中R1至R6和X如权利要求1中定义的，以及它们的互变异构体、对映体、顺反异构体、它们的混合物和它们的盐，特别是它们的生理上可接受的盐，具有有用的药理特性，特别是在抑制各种受体酪氨酸激酶的作用和对内皮细胞和各种肿瘤细胞的增殖方面，在包括这些化合物的药物、它们的使用和制备它们的方法方面。
• Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions
  申请人：Heckel Armin

  公开号：US20060194813A1

  公开（公告）日：2006-08-31

  The present invention relates to indolinone derivatives substituted in the 6 position of general formula wherein R 1 to R 6 and X are defined as in claim 1 , the tautomers, enantiomers, diastereomers, mixtures thereof and the salts thereof, particularly the physiologically acceptable salts thereof, which have valuable pharmacological properties, in particular an inhibiting effect on various receptor tyrosine kinases and on the proliferation of endothelial cells and various tumour cells, pharmaceutical compositions containing these compounds, their use and processes for preparing them.

  本发明涉及一种在通式中6位取代的吲哚酮衍生物，其中R1至R6和X如权利要求1所定义，其互变异构体、对映异构体、顺反异构体、混合物及其盐，特别是其生理上可接受的盐，具有有价值的药理特性，特别是对各种受体酪氨酸激酶和内皮细胞以及各种肿瘤细胞的增殖具有抑制作用，包含这些化合物的制药组合物，它们的用途和制备过程。
• INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS
  申请人：Roth Juergen Gerald

  公开号：US20070004757A1

  公开（公告）日：2007-01-04

  The present invention relates to indolinone derivatives, substituted in the 6-position, of the formula in which R 1 to R 6 and X are as defined in Claim 1 , to their tautomers, enantiomers, diastereomers, to their mixtures and to their salts, in particular their physiologically acceptable salts, which have useful pharmacological properties, in particular in inhibiting action on various receptor tyrosine kinases and on the proliferation of endothelial cells and various tumour cells, to medicaments comprising these compounds, to their use and to processes for their preparation.

  本发明涉及6-位取代的吲哚酮衍生物，其化学式为其中R1至R6和X如权利要求1所定义，以及它们的互变异构体、对映异构体、非对映异构体、混合物和盐，特别是其生理上可接受的盐，具有有用的药理学性质，特别是在抑制各种受体酪氨酸激酶和内皮细胞以及各种肿瘤细胞的增殖方面，以及包含这些化合物的药物、它们的用途和制备方法。
• MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES
  申请人：PARK John Edward

  公开号：US20100204211A1

  公开（公告）日：2010-08-12

  The present invention relates to the use of indolinones of general formula substituted in the 6 position, wherein R 1 to R 5 and X are defined as in claim 1 , the isomers and the salts thereof, particularly the physiologically acceptable salts thereof, as a medicament for the prevention or treatment of specific fibrotic diseases.

  本发明涉及使用通式中6位取代的吲哚酮，其中R1至R5和X如权利要求1所定义，其异构体和盐，特别是其生理上可接受的盐，作为预防或治疗特定纤维化疾病的药物。