(1S,2S)-2-(丙基氨基甲酰)环己烷羰基氟化物 | 288314-22-7

• 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
• 中文名称: (1S,2S)-2-(丙基氨基甲酰)环己烷羰基氟化物
• 中文别名: α-赤藓啶
• 英文名称: (1S,2S)-2-Propylcarbamoyl-cyclohexanecarbonyl fluoride
• 英文别名: (1S,2S)-2-(propylcarbamoyl)cyclohexane-1-carbonyl fluoride
• CAS: 288314-22-7
• 化学式: C₁₁H₁₈FNO₂
• 分子量: 215.268
• InChiKey: FHGZZKXFEXRARI-IUCAKERBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1S,2S)-2-(丙基氨基甲酰)环己烷羰基氟化物 、 (3S,4S)-3,4-Diamino-pyrrolidine-1-carboxylic acid 2-{ethyl-[4-(4-nitro-phenylazo)-phenyl]-amino}-ethyl ester 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以37%的产率得到(3S,4S)-3,4-Bis-[((1S,2S)-2-propylcarbamoyl-cyclohexanecarbonyl)-amino]-pyrrolidine-1-carboxylic acid 2-{ethyl-[4-(4-nitro-phenylazo)-phenyl]-amino}-ethyl ester
  参考文献：
  名称：

  A Synthetic Receptor Motif Designed for Extended Peptide Conformations

  摘要：

  The intrinsic flexibility of short peptides makes them difficult targets for molecular recognition. Although in general too short to form stable secondary structures, many are able to sample extended conformations. Using monomer cycloalkyl-1,2-trans-diamines alternated with cycloalkyl-1,2-trans-dicarboxylic acids, we have constructed a novel receptor motif to be complementary to extended tripeptides. Receptor design, synthesis, structural analysis and binding studies are presented. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00252-0
• 作为产物：
  描述：

  (1S,2S)-trans-1,2-cyclohexanedicarboxylic anhydride 在 吡啶 、 三聚氟氰 作用下， 以 二氯甲烷 为溶剂， 反应 3.5h， 生成 (1S,2S)-2-(丙基氨基甲酰)环己烷羰基氟化物
  参考文献：
  名称：

  A Synthetic Receptor Motif Designed for Extended Peptide Conformations

  摘要：

  The intrinsic flexibility of short peptides makes them difficult targets for molecular recognition. Although in general too short to form stable secondary structures, many are able to sample extended conformations. Using monomer cycloalkyl-1,2-trans-diamines alternated with cycloalkyl-1,2-trans-dicarboxylic acids, we have constructed a novel receptor motif to be complementary to extended tripeptides. Receptor design, synthesis, structural analysis and binding studies are presented. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00252-0

文献信息

• A Synthetic Receptor Motif Designed for Extended Peptide Conformations
  作者：Kevin Ryan、Leland J Gershell、W Clark Still

  DOI：10.1016/s0040-4020(00)00252-0

  日期：2000.5

  The intrinsic flexibility of short peptides makes them difficult targets for molecular recognition. Although in general too short to form stable secondary structures, many are able to sample extended conformations. Using monomer cycloalkyl-1,2-trans-diamines alternated with cycloalkyl-1,2-trans-dicarboxylic acids, we have constructed a novel receptor motif to be complementary to extended tripeptides. Receptor design, synthesis, structural analysis and binding studies are presented. (C) 2000 Elsevier Science Ltd. All rights reserved.