(4-吡啶-2-苯基)-乙酸 | 51061-67-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: (4-吡啶-2-苯基)-乙酸
• 中文别名: 4-(2-吡啶基)乙酸
• 英文名称: 2-(4-(pyridin-2-yl)phenyl)acetic acid
• 英文别名: (4-Pyridin-2-YL-phenyl)-acetic acid；2-(4-pyridin-2-ylphenyl)acetic acid
• CAS: 51061-67-7
• 化学式: C₁₃H₁₁NO₂
• mdl: MFCD06658508
• 分子量: 213.236
• InChiKey: KPAUORDXNFURBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.076
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  (4-吡啶-2-苯基)-乙酸 在 硫酸 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 (4-Pyridin-2-yl-phenyl)-acetic acid hydrazide
  参考文献：
  名称：

  Aromatic hydrazides as specific inhibitors of bovine serum amine oxidase

  摘要：

  New hydrazides were synthesized in search for specific inhibitors of bovine serum amine oxidase: a series of benzoic and phenylacetic acid hydrazides containing the 1H-imidazol-1-yl or the 1H-imidazol-1-ylmethyl group as (o, m, p)-substituent in the phenyl ring; an analogous series of p-substituted phenylhydrazides with 5 or 6-membered heterocyclic ring as substituent, and a series of similar phenylpropionic hydrazides. The longer and more flexible phenylacetic hydrazides, and to a somewhat lesser extent the phenylpropionic ones, were better specific inhibitors of bovine serum amine oxidase than the benzoic hydrazides, which were also bound by the enzyme with high affinity, but at a slow rate. Derivatives with p- and m -substituents were more reactive than the o-substituted ones. The chemical nature of the substituent was less important than its position in the phenyl ring and the presence of methylene spacers. These data point to the presence of a hydrophobic site at short distance from the protein carbonyl cofactor, so that simultaneous interaction of the 2 ends of the inhibitor molecule can occur at the 2 sites. The presence of the hydrophobic site was confirmed by the capability of some molecule deprived of the hydrazidic group to act as mild inhibitors. All hydrazides were less reactive by 2-3 orders of magnitude towards pig kidney diamine oxidase and FAD-dependent monoamine oxidase from rat brain mitochondria, while the other compounds showed similar inhibition power against all proteins. The specificity for the bovine enzyme seems therefore to be related to the concerted action of the 2 moieties of the inhibitor molecule.

  DOI：

  10.1016/0223-5234(92)90005-l
• 作为产物：
  描述：

  2-(4-甲基苯基)吡啶 在 盐酸 、 N-溴代丁二酰亚胺(NBS) 、 过氧化氢苯甲酰 作用下， 以 四氯化碳 、 乙腈 为溶剂， 反应 51.0h， 生成 (4-吡啶-2-苯基)-乙酸
  参考文献：
  名称：

  Aromatic hydrazides as specific inhibitors of bovine serum amine oxidase

  摘要：

  New hydrazides were synthesized in search for specific inhibitors of bovine serum amine oxidase: a series of benzoic and phenylacetic acid hydrazides containing the 1H-imidazol-1-yl or the 1H-imidazol-1-ylmethyl group as (o, m, p)-substituent in the phenyl ring; an analogous series of p-substituted phenylhydrazides with 5 or 6-membered heterocyclic ring as substituent, and a series of similar phenylpropionic hydrazides. The longer and more flexible phenylacetic hydrazides, and to a somewhat lesser extent the phenylpropionic ones, were better specific inhibitors of bovine serum amine oxidase than the benzoic hydrazides, which were also bound by the enzyme with high affinity, but at a slow rate. Derivatives with p- and m -substituents were more reactive than the o-substituted ones. The chemical nature of the substituent was less important than its position in the phenyl ring and the presence of methylene spacers. These data point to the presence of a hydrophobic site at short distance from the protein carbonyl cofactor, so that simultaneous interaction of the 2 ends of the inhibitor molecule can occur at the 2 sites. The presence of the hydrophobic site was confirmed by the capability of some molecule deprived of the hydrazidic group to act as mild inhibitors. All hydrazides were less reactive by 2-3 orders of magnitude towards pig kidney diamine oxidase and FAD-dependent monoamine oxidase from rat brain mitochondria, while the other compounds showed similar inhibition power against all proteins. The specificity for the bovine enzyme seems therefore to be related to the concerted action of the 2 moieties of the inhibitor molecule.

  DOI：

  10.1016/0223-5234(92)90005-l
• 作为试剂：
  描述：

  2-甲基氨基-4-甲基噻唑-5-磺酰胺 、 (4-吡啶-2-苯基)-乙酸 在 (4-吡啶-2-苯基)-乙酸 作用下， 以74的产率得到N-[5-(氨基磺酰基)-4-甲基-1,3-噻唑-2-基]-N-甲基-2-(4-吡啶-2-基苯基)乙酰胺
  参考文献：
  名称：

  Uncompetitive inhibitors of helicase-primase

  摘要：

  本发明涉及抑制病毒螺旋酶-引物酶酶复合物的抑制剂，具有抗疱疹活性，以及含有这些化合物的适宜配方的药物。本发明进一步描述了一种用于识别具有抗病毒活性的物质，以治疗人类和动物的疱疹感染的方法。

  公开号：

  US20020160932A1

文献信息

• Thiazolyl amide derivatives
  申请人：——

  公开号：US20040006076A1

  公开（公告）日：2004-01-08

  The present invention relates to novel compounds, to a process for their preparation and to their use as medicaments, in particular as antiviral medicaments.

  本发明涉及新化合物，以及它们的制备方法和它们作为药物的用途，特别是作为抗病毒药物。
• N-[5-(Aminosulfonyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-[4-(2-pyridinyl)phenyl]acetamide mesylate monohydrate
  申请人：AiCuris GmbH & Co. KG

  公开号：EP2573086A1

  公开（公告）日：2013-03-27

  The present invention relates to an improved and shortened synthesis of N-[5-(aminosulfonyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-[4-(2-pyridinyl)phenyl]acetamide and the mesylate monohydrate salt thereof by using boronic acid derivatives or borolane reagents while avoiding toxic organic tin compounds and to the mesylate monohydrate salt of N-[5-(aminosulfonyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-[4-(2-pyridinyl)phenyl]acet-amide which has demonstrated increased long term stability and release kinetics from pharmaceutical compositions.

  本发明涉及一种改进和缩短合成N-[5-(氨基磺酰基)-4-甲基-1,3-噻唑-2-基]-N-甲基-2-[4-(2-吡啶基)苯基]乙酰胺及其甲磺酸盐一水合物的方法，该方法使用硼酸衍生物或硼杂环丙烷试剂，同时避免有毒的有机锡化合物，并且涉及N-[5-(氨基磺酰基)-4-甲基-1,3-噻唑-2-基]-N-甲基-2-[4-(2-吡啶基)苯基]乙酰胺的甲磺酸盐一水合物，该物质表现出增加的长期稳定性和从药物组合物中的释放动力学。
• [EN] N-[5-(AMINOSULFONYL)-4-METHYL-1,3-THIAZOL-2-YL]-N-METHYL-2-[4-(2-PYRIDINYL)PHENYL]ACETAMIDE MESYLATE MONOHYDRATE<br/>[FR] MÉSYLATE DE N-[5-(AMINOSULFONYL)-4-MÉTHYL-1,3-THIAZOL-2-YL]-N-MÉTHYL-2-[4-(2-PYRIDINYL)PHÉNYL]ACÉTAMIDE MONOHYDRATÉ
  申请人：AICURIS GMBH & CO KG

  公开号：WO2013045479A1

  公开（公告）日：2013-04-04

  The present invention relates to an improved and shortened synthesis of N-[5- (aminosulfonyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-[4-(2-pyridinyl)phenyl]acet-amide and the mesylate monohydrate salt thereof by using boronic acid derivatives or borolane reagents while avoiding toxic organic tin compounds and to the mesylate monohydrate salt of N-[5-(aminosulfonyl)-4-methyl-1,3-thiazol-2-yl]-N- methyl-2-[4-(2-pyridinyl)phenyl]acet-amide which has demonstrated increased long term stability and release kinetics from pharmaceutical compositions.

  本发明涉及一种改进和缩短合成N-[5-(氨基磺酰基)-4-甲基-1,3-噻唑-2-基]-N-甲基-2-[4-(2-吡啶基)苯基]乙酰胺及其甲磺酸盐一水合物的方法，该方法使用硼酸衍生物或硼杂环试剂，同时避免有毒的有机锡化合物，并且涉及N-[5-(氨基磺酰基)-4-甲基-1,3-噻唑-2-基]-N-甲基-2-[4-(2-吡啶基)苯基]乙酰胺的甲磺酸盐一水合物，该物质表现出增加的长期稳定性和从药物组合物中的释放动力学。
• Compositions and methods of treating cell proliferation disorders
  申请人：Hangauer G. David

  公开号：US20060160800A1

  公开（公告）日：2006-07-20

  The invention relates to compounds and methods for treating cell proliferation disorders.

  这项发明涉及化合物和治疗细胞增殖紊乱的方法。
• [EN] AMINOTHIAZOLE DERIVATIVES USEFUL AS ANTIVIRAL AGENTS<br/>[FR] DÉRIVÉS D'AMINOTHIAZOLE UTILES EN TANT QU'AGENTS ANTIVIRAUX
  申请人：INNOVATIVES MOLECULES GMBH

  公开号：WO2017174640A1

  公开（公告）日：2017-10-12

  The invention relates to novel compounds of the Formula (I), to a process for their preparation and to their use as medicaments, in particular as antiviral medicaments.

  该发明涉及公式（I）的新化合物，涉及其制备方法以及它们作为药物的用途，特别是作为抗病毒药物。