Methyl 2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzoate | 1338705-74-0

• 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: Methyl 2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzoate
• 英文别名: methyl 2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzoate
• CAS: 1338705-74-0
• 化学式: C₂₄H₂₃ClO₆
• 分子量: 442.896
• InChiKey: AMMCADUVZBMHPM-UHFFFAOYSA-N

物化性质

• 沸点：
  580.8±45.0 °C(Predicted)
• 密度：
  1.241±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  63.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Methyl 2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzoate 在 lithium aluminium tetrahydride 、 盐酸羟胺 、 戴斯-马丁氧化剂 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 乙腈 为溶剂， 生成 2-Chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzonitrile
  参考文献：
  名称：

  CEPHALOSPORIN ANTIBACTERIAL COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF

  摘要：

  本发明提供了一种如式1-1、1-2或1-3所示的头孢菌素类化合物及其药物组合物，以及其作为抗菌剂的用途。

  公开号：

  EP4095141A1
• 作为产物：
  描述：

  2-氯-3,4-二甲氧基苯甲酸 在 三溴化硼 、 potassium carbonate 、 sodium iodide 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.5h， 生成 Methyl 2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzoate
  参考文献：
  名称：

  Cefiderocol (S-649266), A new siderophore cephalosporin exhibiting potent activities against Pseudomonas aeruginosa and other gram-negative pathogens including multi-drug resistant bacteria: Structure activity relationship

  摘要：

  The structure-activity relationship (SAR) for a novel series of catechol conjugated siderophore cephalosporins is described with their in vitro activities against multi-drug resistant Gram-negative pathogens including Pseudomonas aeruginosa, Acinetobacter baumannii, Stenotrophomonas maltophilia and Enterobacteriaceae. Cefiderocol (3) was one of the best molecules which displayed well-balanced and potent activities against multi-drug resistant Gram-negative pathogens including carbapenem resistant bacteria among the prepared compounds with the modified C-7 side chain and the modified C-3 side chain. Cefiderocol (3) is a highly promising parenteral cephalosporin for the treatment of multi-drug resistant Gram-negative infection. (C) 2018 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2018.06.014

文献信息

• CEPHEM COMPOUND HAVING CATECHOL GROUP
  申请人：Shionogi & Co., Ltd.

  公开号：EP2557082A1

  公开（公告）日：2013-02-13

  A compound of the formula: wherein X is -N=, -CH=, or the like; W is -CH2- or the like; U is -S- or the like; R1 and R2 are each independently hydrogen, halogen, optionally substituted lower alkyl, or the like; R3 is hydrogen or the like; each R4 is independently hydrogen, halogen, or the like; m is an integer from 0 to 2; Q is a single bond, or the like; G is -C(=O)-, or the like; D is a single bond, -NH-, or the like; and E is a cyclic quaternary ammonium group, or an ester, a protected compound at the amino on the ring in the 7-side chain, a pharmaceutically acceptable salt, or a solvate thereof.

  式中的化合物： 其中 X是-N=、-CH=或类似的物质； W 是-CH2-或类似物 U 是 -S- 或类似物； R1 和 R2 各自独立地为氢、卤素、任选取代的低级烷基或类似物； R3 是氢或类似物 每个 R4 独立地为氢、卤素或类似物； m 是 0 至 2 的整数； Q 是单键或类似物； G 是 -C(=O)- 或类似物； D 是单键、-NH- 或类似物；以及 E 是环状季铵基团、 或酯、7-侧链中环上氨基处的受保护化合物、药学上可接受的盐或其溶液。
• MONOCYCLIC BETA-LACTAM COMPOUND AND USE THEREOF
  申请人：Evopoint Biosciences Co., Ltd.

  公开号：EP4074709A1

  公开（公告）日：2022-10-19

  Provided is a monocyclic β-lactam compound as shown in general formula (I), or an ester, a stereoisomer or a pharmaceutically acceptable salt thereof. Also provided are a pharmaceutical composition containing the monocyclic β-lactam compound as shown in general formula (I), or an ester, a stereoisomer or a pharmaceutically acceptable salt thereof, and the use thereof in the preparation of a drug for treating bacterial infections.

  本发明提供了通式（I）所示的单环β-内酰胺化合物，或其酯、立体异构体或药学上可接受的盐。还提供了一种含有通式（I）所示单环β-内酰胺化合物或其酯、立体异构体或药学上可接受的盐的药物组合物，以及其在制备治疗细菌感染药物中的用途。
• [EN] CEPHALOSPORIN ANTIBACTERIAL COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF<br/>[FR] COMPOSÉ CÉPHALOSPORINE ANTIBACTÉRIEN ET SON APPLICATION PHARMACEUTIQUE<br/>[ZH] 头孢类抗菌化合物及其在医药上的应用
  申请人：SHANGHAI SENHUI MEDICINE CO LTD

  公开号：WO2021147986A1

  公开（公告）日：2021-07-29

  式I-1、I-2或I-3所示的头孢类化合物，包含其的药物组合物，以及作为抗菌剂的用途。
• EP2557082
  申请人：——

  公开号：——

  公开（公告）日：——
• Cefiderocol (S-649266), A new siderophore cephalosporin exhibiting potent activities against Pseudomonas aeruginosa and other gram-negative pathogens including multi-drug resistant bacteria: Structure activity relationship
  作者：Toshiaki Aoki、Hidenori Yoshizawa、Kenji Yamawaki、Katsuki Yokoo、Jun Sato、Shinya Hisakawa、Yasushi Hasegawa、Hiroki Kusano、Masayuki Sano、Hideki Sugimoto、Yasuhiro Nishitani、Takafumi Sato、Masakatsu Tsuji、Rio Nakamura、Toru Nishikawa、Yoshinori Yamano

  DOI：10.1016/j.ejmech.2018.06.014

  日期：2018.7

  The structure-activity relationship (SAR) for a novel series of catechol conjugated siderophore cephalosporins is described with their in vitro activities against multi-drug resistant Gram-negative pathogens including Pseudomonas aeruginosa, Acinetobacter baumannii, Stenotrophomonas maltophilia and Enterobacteriaceae. Cefiderocol (3) was one of the best molecules which displayed well-balanced and potent activities against multi-drug resistant Gram-negative pathogens including carbapenem resistant bacteria among the prepared compounds with the modified C-7 side chain and the modified C-3 side chain. Cefiderocol (3) is a highly promising parenteral cephalosporin for the treatment of multi-drug resistant Gram-negative infection. (C) 2018 Elsevier Masson SAS. All rights reserved.