tert-butyl N-[(2R,3S)-1-anilino-1-oxo-3-phenylmethoxybutan-2-yl]carbamate

• 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: tert-butyl N-[(2R,3S)-1-anilino-1-oxo-3-phenylmethoxybutan-2-yl]carbamate
• 化学式: C₂₂H₂₈N₂O₄
• 分子量: 384.5
• InChiKey: KBCZXUUQDKTPGE-QFBILLFUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[(2R,3S)-1-anilino-1-oxo-3-phenylmethoxybutan-2-yl]carbamate 在 盐酸 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 palladium 10% on activated carbon 、 氢气 、 dimethyl sulfide borane 、 caesium carbonate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 、 水 、 二甲基亚砜 、 乙酸乙酯 为溶剂， 反应 61.0h， 生成 methyl 5-[(3S)-7-chloro-3-[(1S)-1-hydroxyethyl]-2-methyl-1,1-dioxo-5-phenyl-3,4-dihydro-1lambda6,2,5-benzothiadiazepin-8-yl]-2-fluorobenzoate
  参考文献：
  名称：

  FUSED HETEROBICYCLIC ANTIVIRAL AGENTS

  摘要：

  The present invention discloses compounds of Formula (I), or pharmaceutically acceptable salts, thereof: which inhibit the cellular entry of hepatitis B virus (HBV) and/or hepatitis D virus (HDV) or interfere with the function of the life cycle of HBV and/or HDV 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 HBV and/or HDV infection. The invention also relates to methods of treating an HBV and/or HDV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  公开号：

  WO2024044183A1
• 作为产物：
  描述：

  苯胺 、 Boc-O-benzyl-D-threonine 在 N-甲基吗啉 、 氯甲酸异丁酯 作用下， 以 四氢呋喃 为溶剂， 生成 tert-butyl N-[(2R,3S)-1-anilino-1-oxo-3-phenylmethoxybutan-2-yl]carbamate
  参考文献：
  名称：

  FUSED HETEROBICYCLIC ANTIVIRAL AGENTS

  摘要：

  The present invention discloses compounds of Formula (I), or pharmaceutically acceptable salts, thereof: which inhibit the cellular entry of hepatitis B virus (HBV) and/or hepatitis D virus (HDV) or interfere with the function of the life cycle of HBV and/or HDV 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 HBV and/or HDV infection. The invention also relates to methods of treating an HBV and/or HDV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  公开号：

  WO2024044183A1