7-((3R,4S)-3-Aminomethyl-4-trifluoromethyl-pyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid; hydrochloride

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 7-((3R,4S)-3-Aminomethyl-4-trifluoromethyl-pyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid; hydrochloride
• 英文别名: 7-[(3R,4S)-3-(aminomethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
• 化学式: C₂₀H₂₁F₄N₃O₄*ClH
• 分子量: 479.859
• InChiKey: HQHWZSURVGAMKA-BDROLASLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.18
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  96.1
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  ethyl (+/-)-(3R,4R)-1-benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylate 在 palladium on activated charcoal 盐酸 、 sodium hydroxide 、 lithium aluminium tetrahydride 、 氯化亚砜 、 氨 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 二甲基亚砜 为溶剂， 生成 7-((3R,4S)-3-Aminomethyl-4-trifluoromethyl-pyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid; hydrochloride
  参考文献：
  名称：

  Synthesis and antibacterial activity of novel 7-(3-substituted-3 or 4-trifluoromethyl-1-pyrrolidinyl)-8-methoxyfluoroquinolones

  摘要：

  The titled compounds were synthesized and evaluated for in vitro antibacterial activity. The (3R,4S)-3-aminomethyl-4-trifluoromethyl derivative (S-34109) was confirmed to be optimal because of its superior activity against quinolone and methicillin-resistant Staphyrococcus aureus and low side effect potential. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00514-9

文献信息

• Synthesis and antibacterial activity of novel 7-(3-substituted-3 or 4-trifluoromethyl-1-pyrrolidinyl)-8-methoxyfluoroquinolones
  作者：Hideto Fukui、Tetsuo Shibata、Takanobu Naito、Jun Nakano、Tetsuro Maejima、Hisato Senda、Wakao Iwatani、Yoshiyuki Tatsumi、Masahiro Suda、Ta-i Arika

  DOI：10.1016/s0960-894x(98)00514-9

  日期：1998.10

  The titled compounds were synthesized and evaluated for in vitro antibacterial activity. The (3R,4S)-3-aminomethyl-4-trifluoromethyl derivative (S-34109) was confirmed to be optimal because of its superior activity against quinolone and methicillin-resistant Staphyrococcus aureus and low side effect potential. (C) 1998 Elsevier Science Ltd. All rights reserved.