5-Carbamimidamido-2-(trifluoroacetamido)pentanoic acid | 402-90-4

• 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: 5-Carbamimidamido-2-(trifluoroacetamido)pentanoic acid
• 英文别名: 5-(diaminomethylideneamino)-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
• CAS: 402-90-4
• 化学式: C₈H₁₃F₃N₄O₃
• 分子量: 270.211
• InChiKey: XETNZWOYNUMWPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  131
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  DL-精氨酸 、 三氟乙酸酐 以 三氟乙酸 为溶剂， 生成 5-Carbamimidamido-2-(trifluoroacetamido)pentanoic acid
  参考文献：
  名称：

  19 F核磁共振用于控制肽合成。

  摘要：

  DOI：

  10.1021/ja00756a046

文献信息

• Therapy of multiple sclerosis, inflammatory neurological diseases and neurodegenerative diseases with 5'-deoxyadenosylcobalamin, growth hormone, immunomodulators, interleukins, other therapeutic agents, and physiotherapy
  申请人：Boucher James Layne

  公开号：US20110020311A1

  公开（公告）日：2011-01-27

  A novel etiological hypothesis for Multiple Sclerosis (MS) is proposed describing autoimmune attack of ATP: Cob (I) alamin adenosyltransferase (ATR) thereby inhibiting synthesis of (5′-deoxy-5′-adenosyl) cobamide (referred to as 5′-deoxyadenosylcobalmin or AdoCbl) from Vitamin B 12 providing a basis for therapeutic design and diagnostic methods. Pharmaceutical compositions for therapy of MS, inflammatory neurological diseases and neurodegenerative diseases utilizing AdoCbl, growth hormone, immunomodulators, interleukins, other therapeutic agents, and physiotherapy are described. Encompassed in embodiments are diagnostic and therapeutic methods based on the amino acid sequence which binds AdoCbl in ATR. A scoping experiment in therapy, parenteral injection of AdoCbl, has been accomplished with a clinically definite MS patient in the Secondary Progressive stage of MS. The dramatic improvement in the patient's condition strongly supports the etiological hypothesis. Also encompassed in embodiments is the use of bacterial ATR type enzymes for diagnostics. The etiological hypothesis should not limit or restrict this patent.
• US8691790B2
  申请人：——

  公开号：US8691790B2

  公开（公告）日：2014-04-08
• Fluorine-19 nuclear magnetic resonance for the control of peptide synthesis
  作者：E. Bayer、P. Hunziker、M. Mutter、R. E. Sievers、R. Uhmann

  DOI：10.1021/ja00756a046

  日期：1972.1