Phenyl 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-6-fluoro-5-methyl-3-phenylmethoxypyridine-4-carboxylate | 1254367-72-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Phenyl 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-6-fluoro-5-methyl-3-phenylmethoxypyridine-4-carboxylate
• CAS: 1254367-72-0
• 化学式: C₂₇H₃₂FN₃O₃
• 分子量: 465.568
• InChiKey: GVZFTHUVAPPXAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  34
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  63.7
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Phenyl 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-6-fluoro-5-methyl-3-phenylmethoxypyridine-4-carboxylate 在 四甲基乙二胺 、 氢氟酸 、 lithium hexamethyldisilazane 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 水 、 乙腈 为溶剂， 反应 19.5h， 生成
  参考文献：
  名称：

  8-Azatetracyclines: Synthesis and Evaluation of a Novel Class of Tetracycline Antibacterial Agents

  摘要：

  A novel series of fully synthetic 8-azatetracyclines was prepared and evaluated for antibacterial activity. Compounds were identified that overcome both efflux (tet(K)) and ribosomal protection (tet(M)) tetracycline resistance mechanisms and are active against Gram-positive and Gram-negative organisms. Two compounds were identified that exhibit comparable efficacy to marketed tetracyclines in in vivo models of bacterial infection.

  DOI：

  10.1021/jm1015389
• 作为产物：
  描述：

  phenyl 3-(benzyloxy)-5-chloroisonicotinate 在 吡啶 、 tris-(dibenzylideneacetone)dipalladium(0) 、 双(三环己基膦)二氯化钯 、 anhydrous dipotassium phosphate 、 氨基甲酸叔丁酯 、 氢氟酸 、 双氧水 、 caesium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 sodium nitrite 、 三溴氧磷 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 、 溶剂黄146 、 甲苯 为溶剂， 反应 27.75h， 生成 Phenyl 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-6-fluoro-5-methyl-3-phenylmethoxypyridine-4-carboxylate
  参考文献：
  名称：

  8-Azatetracyclines: Synthesis and Evaluation of a Novel Class of Tetracycline Antibacterial Agents

  摘要：

  A novel series of fully synthetic 8-azatetracyclines was prepared and evaluated for antibacterial activity. Compounds were identified that overcome both efflux (tet(K)) and ribosomal protection (tet(M)) tetracycline resistance mechanisms and are active against Gram-positive and Gram-negative organisms. Two compounds were identified that exhibit comparable efficacy to marketed tetracyclines in in vivo models of bacterial infection.

  DOI：

  10.1021/jm1015389

文献信息

• [EN] 8-AZA TETRACYCLINE COMPOUNDS<br/>[FR] COMPOSÉS DE 8-AZA TÉTRACYCLINE
  申请人：TETRAPHASE PHARMACEUTICALS INC

  公开号：WO2010129055A1

  公开（公告）日：2010-11-11

  The present invention is directed to a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof. The variables for Structural Formula I are defined herein. Also described is a pharmaceutical composition comprising the compound of Structural Formula I and its therapeutic use.

  本发明涉及一种由结构式（I）表示的化合物或其药用盐。结构式I的变量在此定义。还描述了包括结构式I化合物的药物组合物及其治疗用途。
• 8-AZA Tetracycline Compounds
  申请人：Clark Roger B.

  公开号：US20120108569A1

  公开（公告）日：2012-05-03

  The present invention is directed to a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof. The variables for Structural Formula I are defined herein. Also described is a pharmaceutical composition comprising the compound of Structural Formula I and its therapeutic use.
• US8367654B2
  申请人：——

  公开号：US8367654B2

  公开（公告）日：2013-02-05
• US8828988B2
  申请人：——

  公开号：US8828988B2

  公开（公告）日：2014-09-09