6-[4-(N-Acetyl-DL-alanylamino)phenyl]-1,2-dihydro-2-oxonicotinic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 6-[4-(N-Acetyl-DL-alanylamino)phenyl]-1,2-dihydro-2-oxonicotinic acid
• 英文别名: 6-[4-(N-acetyl-L-alanylamino)phenyl]-1,2-dihydro-2-oxonicotinic acid；6-[4-[[(2S)-2-acetamidopropanoyl]amino]phenyl]-2-oxo-1H-pyridine-3-carboxylic acid
• 化学式: C₁₇H₁₇N₃O₅
• 分子量: 343.339
• InChiKey: UKEBKXVHERYBKU-VIFPVBQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  125
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-[4-(N-Acetyl-DL-alanylamino)phenyl]-1,2-dihydro-2-oxonicotinic acid 、 N,N'-羰基二咪唑 生成 (2S)-2-acetamido-N-[4-[5-(imidazole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]phenyl]propanamide
  参考文献：
  名称：

  HASKELL, T. H.;HUTT, M. P.;NICOLAIDES, E. D.;WOO, P. W. K.;HUANG, G. G.

  摘要：

  DOI：
• 作为产物：
  描述：

  6-(4-aminophenyl)-1,2-dihydro-2-oxonicotinic acid 、 N-乙酰-L-丙氨酸 生成 6-[4-(N-Acetyl-DL-alanylamino)phenyl]-1,2-dihydro-2-oxonicotinic acid
  参考文献：
  名称：

  HASKELL, T. H.;HUTT, M. P.;NICOLAIDES, E. D.;WOO, P. W. K.;HUANG, G. G.

  摘要：

  DOI：

文献信息

• Aminoacid derivatives of cephalosporin compounds
  申请人：——

  公开号：US04311698A1

  公开（公告）日：1982-01-19

  Novel organic amide compounds which are N-[6-[(acylaminoacylamino or aminoacylamino)phenyl]-1,2-dihydro-2-oxonicotinyl]cephalosporin compounds having broad spectrum antibacterial utility are provided by (a) reacting the free amino acid of the appropriate cephalosporin or the acid salt or silylated derivative or complex thereof with a reactive derivative of the corresponding N-6-[(acylaminoacylamino or aminoacylamino)phenyl]-1,2-dihydro-2-oxonicotinic acid or (b) reacting the free amino acid 7-aminocephalosporanic acid or a related compound or the acid salt or silylated derivative thereof with a reactive derivative of the corresponding D-N-[6-(acylaminoacylamino or aminoacylamino)phenyl]-1,2-dihydro-2-oxonicotinyl]-2-substituted glycine. Pharmaceutical compositions containing said compounds and methods for treating infections using said compositions are also disclosed.

  提供了具有广谱抗菌作用的新型有机酰胺化合物，其为N-[6-[(酰胺基酰胺基或氨基酰胺基)苯基]-1,2-二氢-2-氧基烟酰基]头孢菌素化合物，方法包括(a)将适当头孢菌素的游离氨基酸或其酸盐或硅化衍生物或其复合物与相应的N-6-[(酰胺基酰胺基或氨基酰胺基)苯基]-1,2-二氢-2-氧基烟酸的反应衍生物反应或(b)将游离氨基酸7-氨基头孢菌素酸或相关化合物或其酸盐或硅化衍生物与相应的D-N-[6-(酰胺基酰胺基或氨基酰胺基)苯基]-1,2-二氢-2-氧基烟酰基]-2-取代甘氨酸的反应衍生物反应。还公开了含有该化合物的药物组合物和使用该组合物治疗感染的方法。
• N-(6-((acylaminoacylamino or aminoacylamino)phenyl)-1,2-dihydro-2-oxonicotinyl) cephalosporin compounds, processes for their production, and compositions containing the same
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0015771A1

  公开（公告）日：1980-09-17

  N-[6-[(acylaminoacylamino or aminoacylamino) phenyl]-1,2-dihydro-2-oxonicotinyl] cephalosporin compounds having the formula: wlth broad spectrum antibacterial utility are provided, which can be produced by (a) reacting the free amino acid of the appropriate cephalosporin or the acid salt or silylated derivative or complex thereof with a reactive derivative of the corresponding N-6-[(acylaminoacylamino or aminoacylamino)phenyl]-1,2-dihydro-2-oxonicotinic acid, or (b) reacting the free amino acid 7-aminocephalosporanic acid or a related compound or the acid salt or silylated derivative thereof with a reactive derivative of the corresponding D-N-[6-[(acylaminoacylamino or aminoacylamino)phenyl]-1,2-dihydro-2-oxonicotinyl]-2-substituted glycine. Pharmaceutical compositions containing the novel compounds and methods for treating infections using such compositions are also disclosed.

  提供了 N-[6-[(酰氨基乙酰氨基或氨基乙酰氨基)苯基]-1,2-二氢-2-氧代烟酸基]头孢菌素化合物，其化学式如下： 提供了具有广谱抗菌效用的头孢菌素化合物，该化合物可通过 (a) 将相应头孢菌素的游离氨基酸或其酸盐或硅烷化衍生物或络合物与相应的 N-6-[(酰氨基乙酰氨基或氨基乙酰氨基)苯基]-1.N-6-[(酰氨基乙酰氨基或氨基乙酰氨基)苯基]-2-二氢-2-氧代烟酸酯的活性衍生物反应而制得，该化合物具有以下式子或 (b) 将游离氨基酸 7-氨基头孢烷酸或其相关化合物或其酸盐或硅烷基化衍生物与相应的 D-N-[6-[（酰氨基乙酰氨基或氨基乙酰氨基）苯基]-1,2-二氢-2-氧代烟酸基]-2-取代甘氨酸的活性衍生物反应。此外，还公开了含有新型化合物的药物组合物以及使用此类组合物治疗感染的方法。
• N-(6-((acylaminoacylamino or aminoacylamino)phenyl) 1,2-dihydro-2-oxonicotinyl)penicillin compounds, processes for their production and compositions containing them
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0015773A2

  公开（公告）日：1980-09-17

  Compounds which are N-[6-[(acylaminoacylamino or aminoacylamino) phenyl]-1,2- dihydro-2- oxonicotinyl] penicillins having the formula and pharmaceutically acceptable salts thereof; have broad spectrum antibacterial utility. They can be produced by (a) reacting the free amino acid of the appropriate penicillin or the acid salt or silylated derivative or complex thereof with a reactive derivative of the corresponding N-6-[(acyl- aminoacylamino or aminoacylamino)-phenyl]-1,2-dihydro-2-oxonicotinic acid, or (b) reacting the free amino acid 6-aminopenicillanic acid or a related compound or the acid salt or silylated derivative thereof with a reactive derivative of the corresponding D-N-[6-[(acylaminoacylamino or amlnoacylamino)phenyl]-1,2-dihydro-oxonicotinyl]-2-substituted glycine. Pharmaceutical compositions containing the compounds, methods for treating infections using such compositions and the starting compounds are also disclosed.

  N-[6-[(酰氨基乙酰氨基或氨基乙酰氨基)苯基]-1,2-二氢-2-氧代烟酸基]青霉素类化合物，其式为 及其药学上可接受的盐；具有广谱抗菌作用。它们可以通过以下方法制得：(a) 将相应青霉素的游离氨基酸或其酸盐或硅烷化衍生物或复合物与相应的 N-6-[（酰基-氨基乙酰氨基或氨基乙酰氨基）-苯基]-1,2-二氢-2-氧代烟酸的活性衍生物反应、或 (b) 使游离氨基酸 6-氨基青霉烷酸或相关化合物或其酸盐或硅烷化衍生物与相应的 D-N-[6-[（酰基氨基酰氨基或氨基酰氨基）苯基]-1,2-二氢-2-氧代烟酸]-2-取代甘氨酸的反应衍生物反应。还公开了含有这些化合物的药物组合物、使用这些组合物和起始化合物治疗感染的方法。
• US4278681A
  申请人：——

  公开号：US4278681A

  公开（公告）日：1981-07-14
• US4311698A
  申请人：——

  公开号：US4311698A

  公开（公告）日：1982-01-19