methyl 10-amino-1,4-dioxa-7-azaspiro[4.5]decane-7-carboxylate | 1007595-29-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: methyl 10-amino-1,4-dioxa-7-azaspiro[4.5]decane-7-carboxylate
• 英文别名: methyl 6-amino-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxylate
• CAS: 1007595-29-0
• 化学式: C₉H₁₆N₂O₄
• 分子量: 216.237
• InChiKey: WTLUEFWOOLUJAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  74
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 10-amino-1,4-dioxa-7-azaspiro[4.5]decane-7-carboxylate 在 N-甲基吗啉 、 barium dihydroxide 、 水 、 1-羟基苯并三唑 、 N,N-二异丙基乙胺 作用下， 以 N-甲基吡咯烷酮 、 甲醇 、 二氯甲烷 为溶剂， 反应 17.5h， 生成 2-[6-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-1,4-dioxa-9-azaspiro[4.5]decan-9-yl]thiazole-5-carboxylic acid
  参考文献：
  名称：

  WO2008/20222

  摘要：

  公开号：
• 作为产物：
  描述：

  1,4-二噁-7-氮杂螺[4.5]癸烷-7,10-二羧酸 10-乙酯 7-甲酯 在 palladium 10% on activated carbon barium dihydroxide 、 水 、 氢气 、 三乙胺 作用下， 以 甲醇 、 乙醇 、 丙酮 为溶剂， 反应 1.0h， 生成 methyl 10-amino-1,4-dioxa-7-azaspiro[4.5]decane-7-carboxylate
  参考文献：
  名称：

  WO2008/20222

  摘要：

  公开号：

文献信息

• PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY
  申请人：Basarab Gregory

  公开号：US20100286181A1

  公开（公告）日：2010-11-11

  Compounds of formula (I) and their pharmaceutically acceptable salts are described. Processes for their preparation, pharmaceutical compositions containing them, their use as medicaments and their use in the treatment of bacterial infections are also described.

  本文描述了化学式（I）的化合物及其药用可接受的盐。还描述了制备它们的过程，含有它们的药物组合物，它们作为药物的用途以及它们在治疗细菌感染方面的用途。
• Optimization of Pyrrolamide Topoisomerase II Inhibitors Toward Identification of an Antibacterial Clinical Candidate (AZD5099)
  作者：Gregory S. Basarab、Pamela J. Hill、C. Edwin Garner、Ken Hull、Oluyinka Green、Brian A. Sherer、P. Brian Dangel、John I. Manchester、Shanta Bist、Sheila Hauck、Fei Zhou、Maria Uria-Nickelsen、Ruth Illingworth、Richard Alm、Mike Rooney、Ann E. Eakin

  DOI：10.1021/jm500462x

  日期：2014.7.24

  AZD5099 (compound 63) is an antibacterial agent that entered phase 1 clinical trials targeting infections caused by Gram-positive and fastidious Gram-negative bacteria. It was derived from previously reported pyrrolamide antibacterials and a fragment-based approach targeting the ATP binding site of bacterial type II topoisomerases. The program described herein varied a 3-piperidine substituent and incorporated 4-thiazole substituents that form a seven-membered ring intramolecular hydrogen bond with a 5-position carboxylic acid. Improved antibacterial activity and lower in vivo clearances were achieved. The lower clearances were attributed, in part, to reduced recognition by the multidrug resistant transporter Mrp2. Compound 63 showed notable efficacy in a mouse neutropenic Staphylococcus aureus infection model. Resistance frequency versus the drug was low, and reports of clinical resistance due to alteration of the target are few. Hence, 63 could offer a novel treatment for serious issues of resistance to currently used antibacterials.
• [EN] PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY<br/>[FR] DÉRIVÉS DU PYRROLE AYANT UNE ACTIVITÉ ANTIBACTÉRIENNE
  申请人：ASTRAZENECA AB

  公开号：WO2008020222A1

  公开（公告）日：2008-02-21

  [EN] Compounds of formula (I) and their pharmaceutically acceptable salts are described. Processes for their preparation, pharmaceutical compositions containing them, their use as medicaments and their use in the treatment of bacterial infections are also described.
  [FR] La présente invention concerne des composés de formule (I) et leurs sels pharmaceutiquement acceptables. Des procédés destinés à leur préparation, des compositions pharmaceutiques les contenant, leur utilisation en tant que médicaments et leur utilisation dans le traitement d'infections bactériennes sont également décrits.