((3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl)methanol | 217096-42-9

• 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: ((3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl)methanol
• 英文别名: [(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
• CAS: 217096-42-9
• 化学式: C₆H₁₀F₃NO
• 分子量: 169.147
• InChiKey: FTCZDLFPXLYLEE-CRCLSJGQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-cyclopropyl-1,4-dihydro-6,7-difluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid difluoroborate ester 、 ((3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl)methanol 在 三乙胺 作用下， 以 二甲基亚砜 为溶剂， 生成 1-Cyclopropyl-6-fluoro-1,4-dihydro-7-(trans-3-hydroxymethyl-4-trifluoromethyl-1-pyrrolidinyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
  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
• 作为产物：
  描述：

  ethyl (+/-)-(3R,4R)-1-benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylate 在 palladium on activated charcoal lithium aluminium tetrahydride 、 氢气 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 ((3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl)methanol
  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

• [EN] NOVEL PYRIMIDINE CARBOXAMIDES AS INHIBITORS OF VANIN-1 ENZYME<br/>[FR] NOUVEAUX PYRIMIDINE CARBOXAMIDES UTILISÉES COMME INHIBITEURS DE L'ENZYME VANIN-1
  申请人：PFIZER

  公开号：WO2018011681A1

  公开（公告）日：2018-01-18

  Compounds, pharmaceutically acceptable salts thereof, are disclosed wherein the compounds have the structure of (I) as defined in the specification. Corresponding pharmaceutical compositions, methods of treatment, methods of synthesis, and intermediates are also disclosed.

  揭示了具有(I)结构的化合物及其药用可接受的盐。还公开了相应的药物组合物、治疗方法、合成方法和中间体。
• Pyrimidine carboxamides as inhibitors of Vanin-1 enzyme
  申请人：Pfizer Inc.

  公开号：US10906888B2

  公开（公告）日：2021-02-02

  Compounds, pharmaceutically acceptable salts thereof, are disclosed wherein the compounds have the structure of (I) as defined in the specification. Corresponding pharmaceutical compositions, methods of treatment, methods of synthesis, and intermediates are also disclosed.

  本发明公开了化合物及其药学上可接受的盐类，其中化合物具有说明书中定义的 (I) 结构。还公开了相应的药物组合物、治疗方法、合成方法和中间体。
• NOVEL PYRIMIDINE CARBOXAMIDES AS INHIBITORS OF VANIN-1 ENZYME
  申请人：Pfizer Inc.

  公开号：EP3484876A1

  公开（公告）日：2019-05-22