2-(3-Bromo-2-ethoxy-5-methylsulfanyl-phenyl)-[1,3]dioxolane | 709615-73-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(3-Bromo-2-ethoxy-5-methylsulfanyl-phenyl)-[1,3]dioxolane
• 英文别名: 2-(3-Bromo-2-ethoxy-5-methylsulfanylphenyl)-1,3-dioxolane
• CAS: 709615-73-6
• 化学式: C₁₂H₁₅BrO₃S
• 分子量: 319.219
• InChiKey: TXAFOWCCGMZXCQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  53
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(3-Bromo-2-ethoxy-5-methylsulfanyl-phenyl)-[1,3]dioxolane 在 resin-bound cyanoborohydride 、 4-甲基苯磺酸吡啶 、 溶剂黄146 作用下， 以 甲醇 、 丙酮 为溶剂， 生成 2-[3-(3-Bromo-2-ethoxy-5-methylsulfanyl-benzylamino)-propylamino]-1H-quinolin-4-one
  参考文献：
  名称：

  Optimisation of aryl substitution leading to potent methionyl tRNA synthetase inhibitors with excellent gram-Positive antibacterial activity

  摘要：

  Optimisation of the left-hand-side aryl moiety of a file compound screening hit against Staphylococcus aureus methionyl tRNA synthetase led to the identification of a series of potent nanomolar inhibitors. The best compounds showed excellent antibacterial activity against staphylococcal and enterococcal pathogens. including strains resistant to clinical antibiotics. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01027-2
• 作为产物：
  描述：

  2-(3-Bromo-2-ethoxy-5-iodo-phenyl)-[1,3]dioxolane 、 sodium thiomethoxide 在 copper(I) oxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(3-Bromo-2-ethoxy-5-methylsulfanyl-phenyl)-[1,3]dioxolane
  参考文献：
  名称：

  Optimisation of aryl substitution leading to potent methionyl tRNA synthetase inhibitors with excellent gram-Positive antibacterial activity

  摘要：

  Optimisation of the left-hand-side aryl moiety of a file compound screening hit against Staphylococcus aureus methionyl tRNA synthetase led to the identification of a series of potent nanomolar inhibitors. The best compounds showed excellent antibacterial activity against staphylococcal and enterococcal pathogens. including strains resistant to clinical antibiotics. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01027-2

文献信息

• 2-NH-heteroarylimidazoles with antibacterial activity
  申请人：Berge John

  公开号：US20060014748A1

  公开（公告）日：2006-01-19

  Compounds of formula (I): are inhibitors of bacterial methionyl tRNA synthetase and are of use in treating bacterial infections.

  公式（I）的化合物是细菌甲硫氨酸tRNA合成酶的抑制剂，可用于治疗细菌感染。
• 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY
  申请人：Berge John

  公开号：US20070213362A1

  公开（公告）日：2007-09-13

  A method of inhibiting MetRS activity comprises administering to a patient in need thereof a MetRS inhibiting effective amount of a compound of the formula (I). A method of treating a resistant or multiply-resistant E. faecalis infection, a resistant or multiply-resistant S. aureus infection, and/or a resistant or multiply-resistant S. epidermidis infection comprises administering to a patient in need thereof an antibacterially effective amount of a compound of the formula (I).

  一种抑制MetRS活性的方法包括向需要治疗的患者投予化合物(I)的抑制剂有效量。一种治疗耐药或多重耐药E. faecalis感染，耐药或多重耐药S. aureus感染和/或耐药或多重耐药S. epidermidisinfection的方法包括向需要治疗的患者投予化合物(I)的抗菌有效量。
• US6943175B2
  申请人：——

  公开号：US6943175B2

  公开（公告）日：2005-09-13
• US7220757B2
  申请人：——

  公开号：US7220757B2

  公开（公告）日：2007-05-22
• [EN] 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY<br/>[FR] 2-NH-HETEROARYLIMIDAZOLES A ACTIVITE ANTIBACTERIENNE
  申请人：REPLIDYNE INC

  公开号：WO2004052288A2

  公开（公告）日：2004-06-24

  2-NH-Heteroarylimidazoles are inhibitors of bacterial methionyl tRNA synthetase and are of use in treating bacterial infections.