(1R,2S)-2-tert-Butoxycarbonylamino-4-methylene-cyclopentanecarboxylic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (1R,2S)-2-tert-Butoxycarbonylamino-4-methylene-cyclopentanecarboxylic acid
• 英文别名: (1R,2S)-4-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
• 化学式: C₁₂H₁₉NO₄
• 分子量: 241.287
• InChiKey: XDCPEAITKWRVEB-BDAKNGLRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (1R,2S)-2-tert-Butoxycarbonylamino-4-methylene-cyclopentanecarboxylic acid 在 三甲基氯硅烷 、 sodium iodide 、 9-芴甲基-N-琥珀酰亚胺基碳酸酯 、 sodium carbonate 、 哌啶 作用下， 以 乙腈 、 1,4-二氧六环 为溶剂， 生成 (1S,5R)-5-氨基-3-甲基-2-环戊烯-1-羧酸 、 (+)-(1R,2S)-2-amino-4-methyl-cyclopent-3-enecarboxylic acid
  参考文献：
  名称：

  Novel antifungal β-amino acids: synthesis and activity against Candida albicans

  摘要：

  A series of novel beta-amino acids has been synthesized and tested for their in vitro antifungal activity against Candida albicans. A steep SAR was observed. beta-Amino acid 21 (BAY 10-8888/PLD-118) revealed the most favourable activity-tolerability profile and was selected for clinical studies as a novel antifungal for the oral treatment of yeast infections. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00958-7
• 作为产物：
  描述：

  2-苯基-4H-1,3,2-苯并噁吖磷英-4-酮2-硫化 、 三乙胺 、 二碳酸二叔丁酯 以 dioxane-water 为溶剂， 反应 16.0h， 以to afford crude (1R,2S)-2-tert-butoxycarbonylamino-4-methylene-cyclopentanecarboxylic acid as a pale yellow oil, which的产率得到(1R,2S)-2-tert-Butoxycarbonylamino-4-methylene-cyclopentanecarboxylic acid
  参考文献：
  名称：

  Organic Compounds and Their Uses

  摘要：

  本申请描述了有机化合物，可用于治疗、预防和/或改善人类疾病。

  公开号：

  US20080045530A1

文献信息

• HCV inhibitors comprising beta amino acids and their uses
  申请人：Novartis AG

  公开号：EP2272858A2

  公开（公告）日：2011-01-12

  The present application describes organic compounds that are useful for the treatment, prevention and/or amelioration of human diseases.

  本申请介绍了可用于治疗、预防和/或改善人类疾病的有机化合物。
• [EN] ORGANIC COMPOUNDS AND THEIR USES<br/>[FR] COMPOSÉS ORGANIQUES ET LEURS UTILISATIONS
  申请人：NOVARTIS AG

  公开号：WO2007121124A2

  公开（公告）日：2007-10-25

  [EN] The present application describes organic compounds that are useful for the treatment, prevention and/or amelioration of human diseases.
  [FR] L'invention concerne des composés organiques qui sont utiles pour le traitement, la prévention et/ou l'amélioration de maladies humaines.
• Novel antifungal β-amino acids: synthesis and activity against Candida albicans
  作者：Joachim Mittendorf、Franz Kunisch、Michael Matzke、Hans-Christian Militzer、Axel Schmidt、Wolfgang Schönfeld

  DOI：10.1016/s0960-894x(02)00958-7

  日期：2003.2

  A series of novel beta-amino acids has been synthesized and tested for their in vitro antifungal activity against Candida albicans. A steep SAR was observed. beta-Amino acid 21 (BAY 10-8888/PLD-118) revealed the most favourable activity-tolerability profile and was selected for clinical studies as a novel antifungal for the oral treatment of yeast infections. (C) 2002 Elsevier Science Ltd. All rights reserved.
• Organic Compounds and Their Uses
  申请人：Brandl Trixi

  公开号：US20080045530A1

  公开（公告）日：2008-02-21

  The present application describes organic compounds that are useful for the treatment, prevention and/or amelioration of human diseases.

  本申请描述了有机化合物，可用于治疗、预防和/或改善人类疾病。