(R)-dimethyl 3,3'-(1-hydroxybutan-2-ylazanediyl)dipropanoate | 945409-04-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (R)-dimethyl 3,3'-(1-hydroxybutan-2-ylazanediyl)dipropanoate
• 英文别名: methyl 3-[[(2R)-1-hydroxybutan-2-yl]-(3-methoxy-3-oxopropyl)amino]propanoate
• CAS: 945409-04-1
• 化学式: C₁₂H₂₃NO₅
• 分子量: 261.318
• InChiKey: PEGPACYRGFFMRO-SNVBAGLBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.19
• 重原子数：
  18.0
• 可旋转键数：
  9.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  76.07
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (R)-dimethyl 3,3'-(1-hydroxybutan-2-ylazanediyl)dipropanoate 在 sodium methylate 作用下， 以 甲醇 、 水 、 甲苯 为溶剂， 反应 5.0h， 生成
  参考文献：
  名称：

  Synthesis and antihistamine evaluations of novel loratadine analogues

  摘要：

  A series of loratadine analogues containing hydroxyl group and chiral center were synthesized. The effect of the synthesized compounds on the histamine-induced contractions of guinea-pig ileum muscles was studied. In addition, the in vivo asthma-relieving effect of the analogues in the histamine induced asthmatic reaction in guinea-pigs was determined. Most of the compounds exhibited definite H-1 antihistamine activity. The S-enantiomers, compounds 2, 4 and 8, are more potent than the R-enantiomers, compounds 1, 3 and 7. Compound 6 was the most active one among the eight synthesized compounds. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.012
• 作为产物：
  描述：

  2-氨基丁醇 、 丙烯酸甲酯（MA） 以 甲醇 为溶剂， 以49%的产率得到(R)-dimethyl 3,3'-(1-hydroxybutan-2-ylazanediyl)dipropanoate
  参考文献：
  名称：

  Synthesis and antihistamine evaluations of novel loratadine analogues

  摘要：

  A series of loratadine analogues containing hydroxyl group and chiral center were synthesized. The effect of the synthesized compounds on the histamine-induced contractions of guinea-pig ileum muscles was studied. In addition, the in vivo asthma-relieving effect of the analogues in the histamine induced asthmatic reaction in guinea-pigs was determined. Most of the compounds exhibited definite H-1 antihistamine activity. The S-enantiomers, compounds 2, 4 and 8, are more potent than the R-enantiomers, compounds 1, 3 and 7. Compound 6 was the most active one among the eight synthesized compounds. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.012