5-氯-7-甲氧基-噻吩并[3,2-b]吡啶 | 90690-91-8

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡啶类
• 中文名称: 5-氯-7-甲氧基-噻吩并[3,2-b]吡啶
• 中文别名: 无
• 英文名称: 5-chloro-7-methoxythieno<3,2-b>pyridine
• 英文别名: 5-Chloro-7-methoxythieno[3,2-B]pyridine
• CAS: 90690-91-8
• 化学式: C₈H₆ClNOS
• mdl: MFCD10000846
• 分子量: 199.661
• InChiKey: FPKSLXUICLEJKO-UHFFFAOYSA-N

物化性质

• 沸点：
  277.4±35.0 °C(Predicted)
• 密度：
  1.404±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  50.4
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  5-氯-7-甲氧基-噻吩并[3,2-b]吡啶 在 溶剂黄146 、 锌 作用下， 以78%的产率得到7-methoxythieno[3,2-b]pyridine
  参考文献：
  名称：

  Barker, John M.; Huddleston, Patrick R.; Holmes, David, Journal of Chemical Research, Miniprint, 1984, # 3, p. 771 - 795

  摘要：

  DOI：
• 作为产物：
  描述：

  methyl 5-chloro-7-methoxythieno(3,2-b)pyridine-6-carboxylate 在 sodium hydroxide 作用下， 反应 2.25h， 生成 5-氯-7-甲氧基-噻吩并[3,2-b]吡啶
  参考文献：
  名称：

  Barker, John M.; Huddleston, Patrick R.; Holmes, David, Journal of Chemical Research, Miniprint, 1984, # 3, p. 771 - 795

  摘要：

  DOI：

文献信息

• Definition of the heterocyclic pharmacophore of bacterial methionyl tRNA synthetase inhibitors: potent antibacterially active non-quinolone analogues
  作者：Richard L Jarvest、Sula A Armstrong、John M Berge、Pamela Brown、John S Elder、Murray J Brown、Royston C.B Copley、Andrew K Forrest、Dieter W Hamprecht、Peter J O'Hanlon、Darren J Mitchell、Stephen Rittenhouse、David R Witty

  DOI：10.1016/j.bmcl.2004.05.070

  日期：2004.8

  Potent inhibitors of bacterial methionyl tRNA synthetase (MRS) have previously been reported. Through SAR of the quinolone moiety, the right hand side pharmacophore for MRS inhibition has now been defined as an NH-C-NH functionality in the context of a bicyclic heteroaromatic system. Potent antibacterial fused-pyrimidone and fused-imidazole analogues have been obtained and enantioselective activity demonstrated. Compound 46 demonstrated very good antibacterial activity against panels of antibiotic-resistant staphylococci and enterococci. (C) 2004 Elsevier Ltd. All rights reserved.
• [EN] 2-NH-PYRIDONES AND PYRIMIDONES AS MRS INHIBITORS<br/>[FR] 2-NH-PYRIDONES ET PYRIMIDONES UTILISEES COMME INHIBITEURS DE MRS
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2000071524A1

  公开（公告）日：2000-11-30

  Compounds of formula (I) in which: W is CH and R1 is the residue of a 5 or 6-membered heteroaryl ring, or W is N and R1 is the residue of an 5 or 6-membered heteroaryl ring or an aryl ring, which heteroaryl or aryl ring is optionally substituted with from 1 to 3 substituents selected from halo, cyano, hydroxy, (C¿1-6?)alkyl(optionally substituted by halo, hydroxy, amino, mono to perfluoro(C1-3)alkyl, carboxy or (C1-6)alkoxycarbonyl), (C3-7)cycloalkyl, C(1-6)alkoxy, amino, mono- or di-(C1-6)alkylamino, acylamino, carboxy, (C1-6)alkoxycarbonyl, carboxy(C1-6)alkyloxy, (C1-6)alkylthio, (C1-6)alkylsulphinyl, (C1-6)alkylsulphonyl, sulphamoyl, mono- and di-(C1-6)alkylsulphamoyl, carbamoyl, mono- and di-(C1-6)alkylcarbamoyl, and heterocyclyl; R?2¿ is an optionally substituted aryl or an optionally substituted heteroaryl ring; X is CH¿2? or CHR?3¿ in which R3 is C(¿1-6?)akyl or R?3¿ may be linked to the ortho position of an aryl or heteroaryl ring of R2 to form a 5 to 7 membered ring optionally including oxygen or nitrogen as a ring atom; Y is C(¿1-3?)alkylene or C(4-6)cycloalkylene; including tautomeric forms of the pyrimidone ring (when W is N); and salts thereof, preferably pharmaceutically acceptable salts thereof, are inhibitors of the bacterial enzyme S aureus methionyl t-RNA synthetase (MRS) and are of use in treating bacterial infections.
• Barker, John M.; Huddleston, Patrick R.; Holmes, David, Journal of Chemical Research, Miniprint, 1984, # 3, p. 771 - 795
  作者：Barker, John M.、Huddleston, Patrick R.、Holmes, David、Keenan, Guy J.、Wright, Brian

  DOI：——

  日期：——