D-allo-Ile-OH tert-butyl ester | 1094281-50-1

• 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: D-allo-Ile-OH tert-butyl ester
• 英文别名: tert-butyl (2R,3S)-2-amino-3-methylpentanoate
• CAS: 1094281-50-1
• 化学式: C₁₀H₂₁NO₂
• 分子量: 187.282
• InChiKey: DRWKBZREIMLHDX-JGVFFNPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  D-allo-Ile-OH tert-butyl ester 、 对硝基苯基氯甲酸酯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 以73%的产率得到Nα-(4-nitrophenyloxycarbonyl)-D-allo-isoleucine tert-butyl ester
  参考文献：
  名称：

  Solid-Support Based Total Synthesis and Stereochemical Correction of Brunsvicamide A

  摘要：

  A total synthesis of the cyanobacterial metabolite brunsvicamide A and the correction of its originally assigned stereochemistry are reported. Key elements were the construction of a urea building block, peptide elongation on solid phase, and on-resin cyclization of the peptide chain, with good overall yield. Detailed structural investigations uncovered that brunsvicamide A features a previously undetected D-lysine residue in its backbone, setting the foundation for all further investigations in this compound class.

  DOI：

  10.1021/ol801064d

文献信息

• ANTIVIRAL COMPOUNDS
  申请人：Cai Zhenhong R.

  公开号：US20110135599A1

  公开（公告）日：2011-06-09

  The present application includes novel inhibitors of HCV, compositions containing such compounds, therapeutic methods that include the administration of such compounds.

  本申请包括HCV的新型抑制剂，含有这些化合物的组合物，以及包括这些化合物的给药的治疗方法。
• US8927484B2
  申请人：——

  公开号：US8927484B2

  公开（公告）日：2015-01-06
• Solid-Support Based Total Synthesis and Stereochemical Correction of Brunsvicamide A
  作者：Thilo Walther、Hans-Dieter Arndt、Herbert Waldmann

  DOI：10.1021/ol801064d

  日期：2008.8.7

  A total synthesis of the cyanobacterial metabolite brunsvicamide A and the correction of its originally assigned stereochemistry are reported. Key elements were the construction of a urea building block, peptide elongation on solid phase, and on-resin cyclization of the peptide chain, with good overall yield. Detailed structural investigations uncovered that brunsvicamide A features a previously undetected D-lysine residue in its backbone, setting the foundation for all further investigations in this compound class.