tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-naphthalen-2-ylpropan-2-ylamino)-1-phenylbutan-2-yl]carbamate | 1422208-42-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-naphthalen-2-ylpropan-2-ylamino)-1-phenylbutan-2-yl]carbamate
• CAS: 1422208-42-1
• 化学式: C₂₈H₃₆N₂O₃
• 分子量: 448.605
• InChiKey: DEDBERMMFFJUAV-LOSJGSFVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  33
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  70.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-naphthalen-2-ylpropan-2-ylamino)-1-phenylbutan-2-yl]carbamate 在 N-乙基吗啉 、 盐酸 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 32.0h， 生成 1-N-[(2S,3R)-3-hydroxy-4-(2-naphthalen-2-ylpropan-2-ylamino)-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
  参考文献：
  名称：

  Novel in vivo active anti-malarials based on a hydroxy-ethyl-amine scaffold

  摘要：

  A novel series of anti-malarials, based on a hydroxy-ethyl-amine scaffold, initially identified as peptidomimetic protease inhibitors is described. Combination of the hydroxy-ethyl-amine anti-malarial phramacophore with the known Mannich base pharmacophore of amodiaquine (57) resulted in promising in vivo active novel derivatives. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.11.118
• 作为产物：
  描述：

  1-苄基-2,3-环氧正丙基-氨基甲酸叔丁酯 、 2-(萘-2-基)-2-丙胺 以 甲醇 为溶剂， 反应 48.0h， 生成 tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-naphthalen-2-ylpropan-2-ylamino)-1-phenylbutan-2-yl]carbamate
  参考文献：
  名称：

  Novel in vivo active anti-malarials based on a hydroxy-ethyl-amine scaffold

  摘要：

  A novel series of anti-malarials, based on a hydroxy-ethyl-amine scaffold, initially identified as peptidomimetic protease inhibitors is described. Combination of the hydroxy-ethyl-amine anti-malarial phramacophore with the known Mannich base pharmacophore of amodiaquine (57) resulted in promising in vivo active novel derivatives. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.11.118