2-(((1-(叔丁氧基)-2-甲基-1-氧代丙烷-2-基)氧基)亚氨基)-2-(2-((叔丁氧基羰基)氨基)噻唑-4-基)乙酸 | 134203-48-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-(((1-(叔丁氧基)-2-甲基-1-氧代丙烷-2-基)氧基)亚氨基)-2-(2-((叔丁氧基羰基)氨基)噻唑-4-基)乙酸
• 英文名称: 2-(((1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl)oxy)imino)-2-(2-((tert-butoxycarbonyl)amino)thiazol-4-yl)acetic acid
• 英文别名: 2-[(2-tert-butoxycarbonylamino-thiazol-4-yl)-carboxy-methyleneaminooxy]-2-methyl-propionic Acid tert-butyl Ester；2-[2-Methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetic acid
• CAS: 134203-48-8
• 化学式: C₁₈H₂₇N₃O₇S
• 分子量: 429.494
• InChiKey: ANFLTTZTVMOFFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  29
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  165
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2-(((1-(叔丁氧基)-2-甲基-1-氧代丙烷-2-基)氧基)亚氨基)-2-(2-((叔丁氧基羰基)氨基)噻唑-4-基)乙酸 在 N-甲基吗啉 、 二氯磷酸苯酯 、 间氯过氧苯甲酸 、 sodium iodide 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.25h， 生成
  参考文献：
  名称：

  EP2703406

  摘要：

  公开号：
• 作为产物：
  描述：

  2-(2-((tert-butoxycarbonyl)amino)thiazol-4-yl)-2-oxoacetic acid 、 tert-butyl 2-(aminooxy)-2-methylpropanoate 以 甲醇 、 二氯甲烷 为溶剂， 生成 2-(((1-(叔丁氧基)-2-甲基-1-氧代丙烷-2-基)氧基)亚氨基)-2-(2-((叔丁氧基羰基)氨基)噻唑-4-基)乙酸
  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

• [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。
• CEPHEM COMPOUND HAVING PYRIDINIUM GROUP
  申请人：Nishitani Yasuhiro

  公开号：US20140114060A1

  公开（公告）日：2014-04-24

  The present invention provides a novel compound which has a broad antibacterial spectrum and particularly exhibits a high antibacterial activity on β-lactamase-producing gram-negative bacteria. Specifically provided are: a compound represented by formula (I) wherein the meaning of each symbol is as defined in the description, an amino-group-protected form of a type of the compound which has the amino group on a ring in a position-7 side chain, or a pharmaceutically acceptable salt of the compound or the amino-group-protected form; and a pharmaceutical composition containing the compound, the amino-group-protected form or the pharmaceutically acceptable salt.

  本发明提供了一种新型化合物，具有广泛的抗菌谱，特别对产β-内酰胺酶的革兰氏阴性细菌表现出高抗菌活性。具体提供的是：一种由式(I)表示的化合物，其中每个符号的含义如描述中定义的那样，一种在环上具有氨基团的化合物的保护形式，该化合物在位置-7侧链上具有氨基团，或者化合物或氨基团保护形式的药用可接受盐；以及含有该化合物、氨基团保护形式或药用可接受盐的药物组合物。
• Piperaziniocephalosporins
  申请人：Shionogi & Co., Ltd.

  公开号：US05143910A1

  公开（公告）日：1992-09-01

  Antibacterial hydroxyarylpiperazinocephalosporins of the formula: ##STR1## wherein R.sup.1 is amino or acylamino; R.sup.2 is H or methoxy; R.sup.3 is alkyl; R.sup.4 is --(P--C--Q).sub.n --, where P and Q each are H, alkyl or OH, or P and Q combine to form oxo, and n is 0 or 4; R.sup.5 is substituted or unsubstituted hydroxyaryl; R.sup.6 has a negative charge and is COO, or an anion in combination with an optionally protected carboxy; and X is O, S or S.fwdarw.O; an antibacterial preparation containing the same; a method for killing bacteria and preventing or treating bacterial infection by using the same; and syntheses of the cephalosporins are provided.

  化学式为：##STR1##的抗菌羟基芳基哌嗪头孢菌素，其中R.sup.1是氨基或酰胺基；R.sup.2是H或甲氧基；R.sup.3是烷基；R.sup.4是--(P-C-Q).sub.n --，其中P和Q分别是H，烷基或OH，或P和Q组合形成氧化物，n为0或4；R.sup.5是取代或未取代的羟基芳基；R.sup.6带有负电荷，是COO，或与可选的保护羧基结合形成阴离子；X是O，S或S.fwdarw.O；包含其的抗菌制剂；使用其杀菌和预防或治疗细菌感染的方法；以及头孢菌素的合成方法。
• Phenacylpyridiniothiocephalosporins
  申请人：Shionogi & Co., Ltd.

  公开号：US05134138A1

  公开（公告）日：1992-07-28

  An antibacterial 3-vic-dihydroxyaroylmethylpyridiniothiomethyl cephalosporin (I) and its salts represented by the following formula: ##STR1## (wherein, R.sup.1 is amino group or acylamino; R.sup.2 is hydrogen or methoxy; R.sup.3 is hydrogen atom or substituent; R.sup.4 is vic-dihydroxyaryl; R.sup.5 is straight or branched lower alkylene; R.sup.6 is hydrogen, a carboxy-protecting group or combined with Y a negative charge; X is --O--, --S-- or sulfinyl; and Y is a counter-ion of pyridinio or combined with R.sup.6 a negative charge), a disinfecting and treating method of bacterial infection using it, and synthetic methods thereof are provided.

  提供一种抗菌的3-邻二羟基芳基甲基吡啶硫甲基头孢菌素(I)及其盐，其化学式如下：##STR1## 其中，R.sup.1为氨基或酰胺基；R.sup.2为氢或甲氧基；R.sup.3为氢原子或取代基；R.sup.4为邻二羟基芳基；R.sup.5为直链或支链低碳烷基；R.sup.6为氢、羧基保护基或与Y结合形成负电荷；X为--O--、--S--或亚砜基；Y为吡啶硫甲基离子或与R.sup.6结合形成负电荷。还提供了使用该物质进行消毒和治疗细菌感染的方法，以及其合成方法。
• JP6377570
  申请人：——

  公开号：——

  公开（公告）日：——