2-(2-chloro-3,4-bis((4-methoxybenzyl)oxy)phenyl)-2-oxoacetic acid | 1429434-61-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(2-chloro-3,4-bis((4-methoxybenzyl)oxy)phenyl)-2-oxoacetic acid
• 英文别名: 2-[2-Chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-oxoacetic acid；2-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-2-oxoacetic acid
• CAS: 1429434-61-6
• 化学式: C₂₄H₂₁ClO₇
• 分子量: 456.88
• InChiKey: YXDPANSIHFMGPC-UHFFFAOYSA-N

物化性质

• 沸点：
  637.3±55.0 °C(Predicted)
• 密度：
  1.324±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  32
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  91.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-(2-chloro-3,4-bis((4-methoxybenzyl)oxy)phenyl)-2-oxoacetic acid 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 2-(2-chloro-3,4-bis((4-methoxybenzyl)oxy)phenyl)-2-oxoacetyl chloride
  参考文献：
  名称：

  PHARMACEUTICAL COMPOSITION AND KIT CONTAINING NOVEL PENAM DERIVATIVE OR SALT THEREOF AND ONE OR MORE COMPOUNDS SELECTED FROM beta-LACTAMASE INHIBITORY COMPOUND AND ANTIBACTERIAL COMPOUND OR SALTS THEREOF

  摘要：

  本发明的目的是提供一种药物组合物和套装，该组合物和套装对革兰氏阴性菌和/或耐药革兰氏阴性菌具有强烈的抗菌活性。包含由通式[1]表示的化合物（每个参考数字的含义如本规范中所述）或其盐和一种或多种从β-内酰胺酶抑制剂和抗菌化合物中选择的化合物的药物组合物和套装对革兰氏阴性菌，如铜绿假单胞菌和/或耐多种药物的铜绿假单胞菌等耐药革兰氏阴性菌具有强烈的抗菌活性，并且对于治疗由这些细菌引起的感染是有用的。

  公开号：

  US20220241249A1
• 作为产物：
  描述：

  2-chloro-N-methoxy-3,4-bis[(4-methoxyphenyl)methoxy]-N-methylbenzamide 在 吡啶 、 selenium(IV) oxide 作用下， 以 四氢呋喃 为溶剂， 反应 27.0h， 生成 2-(2-chloro-3,4-bis((4-methoxybenzyl)oxy)phenyl)-2-oxoacetic acid
  参考文献：
  名称：

  [EN] 2 SUBSTITUTED CEPHEM COMPOUNDS
  [FR] COMPOSÉS DE CÉPHEM SUBSTITUÉS EN POSITION 2

  摘要：

  本发明的化学式（I）的化合物与2-取代头孢菌素类化合物相关，具有广泛的抗微生物谱，特别对产β-内酰胺酶的革兰氏阴性细菌表现出强效的抗微生物活性，并且包含这些化合物的药物组合物。

  公开号：

  WO2014068388A1

文献信息

• [EN] 2 SUBSTITUTED CEPHEM COMPOUNDS<br/>[FR] COMPOSÉS DE CÉPHEM SUBSTITUÉS EN POSITION 2
  申请人：GLAXO GROUP LTD

  公开号：WO2014068388A1

  公开（公告）日：2014-05-08

  The compounds of formula (I) of the subject invention are related to 2-substituted cephem compounds, which have a wide antimicrobial spectrum, in particular exhibit potent antimicrobial activity against beta-lactamase producing Gram negative bacteria, and pharmaceutical compositions comprising the same.

  本发明的化学式（I）的化合物与2-取代头孢菌素类化合物相关，具有广泛的抗微生物谱，特别对产β-内酰胺酶的革兰氏阴性细菌表现出强效的抗微生物活性，并且包含这些化合物的药物组合物。
• NOVEL 2-CARBOXYPENAM COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING NOVEL 2-CARBOXYPENAM COMPOUND OR SALT THEREOF, AND APPLICATIONS THEREOF
  申请人：FUJIFILM Corporation

  公开号：US20200239495A1

  公开（公告）日：2020-07-30

  An object of the present invention is to provide a compound and a pharmaceutical composition which exhibit strong antibacterial activity against Gram-negative bacteria and drug-resistant Gram-negative bacteria. According to the present invention, a compound represented by General Formula [1] (the reference signs in the formula have the same definitions as those described in the present specification) or a salt thereof has strong antibacterial activity against Gram-negative bacteria such as Pseudomonas aeruginosa and drug-resistant Gram-negative bacteria including multidrug-resistant Pseudomonas aeruginosa , and the pharmaceutical composition containing the compound or a salt thereof is useful as an antibacterial agent.

  本发明的目的是提供一种化合物和药物组合物，对革兰氏阴性细菌和耐药革兰氏阴性细菌表现出强大的抗菌活性。根据本发明，由通式[1]表示的化合物（式中的参考标记具有与本说明书中描述的相同定义）或其盐对革兰氏阴性细菌如铜绿假单胞菌和包括多重耐药铜绿假单胞菌在内的耐药革兰氏阴性细菌具有强大的抗菌活性，含有该化合物或其盐的药物组合物作为抗菌剂是有用的。
• NOVEL PENAM DERIVATIVE OR SALT THEREOF, PHARMACEUTICAL COMPOSITION, AND APPLICATIONS THEREOF
  申请人：FUJIFILM Corporation

  公开号：US20210024543A1

  公开（公告）日：2021-01-28

  An object of the present invention is to provide a compound and a pharmaceutical composition which exhibit strong antibacterial activity against Gram-negative bacteria and drug-resistant Gram-negative bacteria. A compound represented by General Formula [1] (the reference signs in Formula have the same definitions as those described in the present specification) or a salt thereof has strong antibacterial activity against Gram-negative bacteria such as Pseudomonas aeruginosa and drug-resistant Gram-negative bacteria including multidrug-resistant Pseudomonas aeruginosa , and the pharmaceutical composition containing the compound or a salt thereof is useful as an antibacterial agent.

  本发明的一个目的是提供一种化合物和药物组合物，对革兰氏阴性细菌和耐药革兰氏阴性细菌表现出强大的抗菌活性。由一般式[1]表示的化合物（式中的参考符号与本说明书中描述的相同定义）或其盐对革兰氏阴性细菌如铜绿假单胞菌和包括多重耐药铜绿假单胞菌在内的耐药革兰氏阴性细菌具有强大的抗菌活性，含有该化合物或其盐的药物组合物可用作抗菌剂。
• 2-SUBSTITUTED CEPHEM COMPOUNDS
  申请人：GLAXO GROUP LIMITED

  公开号：US20150299223A1

  公开（公告）日：2015-10-22

  The present invention relates to 2-substituted cephem compounds of Formula (I) having a quaternary ammonium group on the 3-side chain, preferably together with a cathechol group, or pharmaceutically acceptable salts thereof, which exhibit potent antimicrobial spectrum against a variety of bacteria including Gram negative bacteria and/or Gram positive bacteria, corresponding pharmaceutical compositions, methods of making, treatment methods for bacterial infections or uses thereof.

  本发明涉及具有第3侧链上季铵基团的2-取代头孢菌素化合物（I）, 与儿茶酚基团一起更佳，或其药学上可接受的盐，对包括革兰氏阴性菌和/或革兰氏阳性菌在内的多种细菌具有强效的抗微生物谱，相应的制药组合物，制备方法，治疗细菌感染的方法或其用途。
• NOVEL 2-CARBOXYPENAM COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAID COMPOUND OR SALT, AND APPLICATION THEREOF
  申请人：Fujifilm Corporation

  公开号：EP3693374A1

  公开（公告）日：2020-08-12

  An object of the present invention is to provide a compound and a pharmaceutical composition which exhibit strong antibacterial activity against Gram-negative bacteria and drug-resistant Gram-negative bacteria. According to the present invention, a compound represented by General Formula [1] (the reference signs in the formula have the same definitions as those described in the present specification) or a salt thereof has strong antibacterial activity against Gram-negative bacteria such as Pseudomonas aeruginosa and drug-resistant Gram-negative bacteria including multidrug-resistant Pseudomonas aeruginosa, and the pharmaceutical composition containing the compound or a salt thereof is useful as an antibacterial agent.s

  本发明的目的是提供一种对革兰氏阴性菌和耐药革兰氏阴性菌具有强抗菌活性的化合物和药物组合物。根据本发明，通式[1]代表的化合物（式中的参考符号与本说明书中描述的定义相同）或其盐对革兰氏阴性菌（如铜绿假单胞菌）和耐药革兰氏阴性菌（包括耐多药铜绿假单胞菌）具有很强的抗菌活性，含有该化合物或其盐的药物组合物可用作抗菌剂。