[R-(R*,R*)]-N-(2-hydroxy-1-methyl-2-phenylethyl)-N-methyl-α-aminoacetamide monohydrate | 929206-51-9

• 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: [R-(R*,R*)]-N-(2-hydroxy-1-methyl-2-phenylethyl)-N-methyl-α-aminoacetamide monohydrate
• 英文别名: 2-amino-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide hydrate；2-amino-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide;hydrate
• CAS: 929206-51-9
• 化学式: C₁₂H₁₈N₂O₂*H₂O
• 分子量: 240.302
• InChiKey: HOLNHKXOSNKXQU-KATIXKQHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  67.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-iodopropionaldehyde ethylene acetal 、 [R-(R*,R*)]-N-(2-hydroxy-1-methyl-2-phenylethyl)-N-methyl-α-aminoacetamide monohydrate 在 盐酸 、 正丁基锂 、 二异丙胺 、 lithium chloride 作用下， 以 四氢呋喃 为溶剂， 生成 [αS-[R*(1S*,2S*)]]-α-amino-N-(2-hydroxy-1-methyl-2-phenylethyl)-N-methyl-1,3-dioxolane-2-pentanamide
  参考文献：
  名称：

  Preparation of (S)-2-amino-6, 6-dimethoxyhexanoic acid methyl ester via

  摘要：

  将式(I)的甘氨酰胺与式(II)的二氧兰反应，其中L是离去基团，如碘、溴、烷基磺酰氧或芳基磺酰氧，得到式(III)的二氧兰。处理(III)得到二氧兰戊酸IV，可以转化为(S)-2-氨基-6,6-二甲氧基己酸甲酯。

  公开号：

  US06166227A1

文献信息

• HEPATITIS C VIRUS INHIBITORS
  申请人：Qiu Yao-Ling

  公开号：US20110189129A1

  公开（公告）日：2011-08-04

  The present invention discloses compounds of Formula (I), and pharmaceutically acceptable salts, esters, or prodrugs thereof: Q-G-A-L-B—W  (I), which inhibit RNA-containing virus, particularly the hepatitis C virus (HCV). Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.
• Hepatitis C Virus Inhibitors
  申请人：Qiu Yao-Ling

  公开号：US20120076755A1

  公开（公告）日：2012-03-29

  The present invention discloses compounds of Formula (I), and pharmaceutically acceptable salts, esters, or prodrugs thereof: Q-G-A-L-B-W  (I), which inhibit RNA-containing virus, particularly the hepatitis C virus (HCV). Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.
• US6166227A
  申请人：——

  公开号：US6166227A

  公开（公告）日：2000-12-26
• US6248882B1
  申请人：——

  公开号：US6248882B1

  公开（公告）日：2001-06-19
• US6329542B1
  申请人：——

  公开号：US6329542B1

  公开（公告）日：2001-12-11