2-{2-[(2R,3R,4S,5R)-3,4-二羟基-5-(羟甲基)-氧代草烷-2-基]-1-甲基氨基甲酰氨基}乙酸 | 1616693-92-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-{2-[(2R,3R,4S,5R)-3,4-二羟基-5-(羟甲基)-氧代草烷-2-基]-1-甲基氨基甲酰氨基}乙酸
• 英文名称: Creatine riboside
• 英文别名: 2-[[(E)-N'-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamimidoyl]-methylamino]acetic acid
• CAS: 1616693-92-5
• 化学式: C₉H₁₇N₃O₆
• 分子量: 263.25
• InChiKey: BGJFEKXALPJEGN-XVFCMESISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.7
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  149
• 氢给体数：
  5
• 氢受体数：
  7

文献信息

• COMPOSITIONS AND METHODS FOR DETECTING NEOPLASIA
  申请人：The United States Of America, As Represented By The Secretary, Department Of Health And Human Services

  公开号：EP2948775B1

  公开（公告）日：2018-10-03
• METHODS OF CHARACTERIZING ADRENOCORTICAL TUMORS
  申请人：The United States of America, as Represented by the Secretary, Department of Health and Human serv

  公开号：US20180188254A1

  公开（公告）日：2018-07-05

  Disclosed herein are methods of diagnosing and treating a malignant adrenocortical tumor, including adrenocortical carcinoma. In some examples, methods of diagnosing a malignant adrenocortical tumor include measuring creatine riboside, L-tryptophan, Nε,Nε,Nε-trimethyl-L-lysine and 3-methylhistidine in a biological sample obtained from a subject with an adrenocortical tumor and identifying an increase in creatine riboside and a decrease in L-tryptophan, Nε,Nε,Nε-trimethyl-L-lysine and 3-methylhistidine in the biological sample when compared to a control or reference value for each molecule indicates a malignant adrenocortical tumor. Methods of treatment and evaluating the effectiveness of an agent for treating a malignant adrenocortical tumor are also disclosed. Additionally, kits, assays and devices for characterizing adrenocortical tumors are provided.
• [EN] METHODS OF CHARACTERIZING ADRENOCORTICAL TUMORS<br/>[FR] PROCÉDÉS DE CARACTÉRISATION DE TUMEURS CORTICOSURRÉNALES
  申请人：THE US SECRETARY DEPT OF HEALTHE AND HUMAN SERVICES

  公开号：WO2017004237A1

  公开（公告）日：2017-01-05

  Disclosed herein are methods of diagnosing and treating a malignant adrenocortical tumor, including adrenocortical carcinoma. In some examples, methods of diagnosing a malignant adrenocortical tumor include measuring creatine riboside, L-tryptophan, Νε,Νε,Νε-trimethyl-L-lysine and 3-methylhistidine in a biological sample obtained from a subject with an adrenocortical tumor and identifying an increase in creatine riboside and a decrease in L-tryptophan, Νε,Νε,Νε-trimethyl-L-lysine and 3-methylhistidine in the biological sample when compared to a control or reference value for each molecule indicates a malignant adrenocortical tumor. Methods of treatment and evaluating the effectiveness of an agent for treating a malignant adrenocortical tumor are also disclosed. Additionally, kits, assays and devices for characterizing adrenocortical tumors are provided.