2-phenyl-2-carbamyldiethyl glutarate | 167398-63-2

• 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: 2-phenyl-2-carbamyldiethyl glutarate
• 英文别名: Diethyl 2-carbamoyl-2-phenylpentanedioate
• CAS: 167398-63-2
• 化学式: C₁₆H₂₁NO₅
• 分子量: 307.346
• InChiKey: ZGQBEZZCFIIGNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  22
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  95.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-phenyl-2-carbamyldiethyl glutarate 在 盐酸 、 氢氧化钾 、 [双(三氟乙酰氧基)碘]苯 作用下， 以 乙醇 为溶剂， 反应 28.0h， 生成 5-carboxy-5-phenylpyrrolidin-2-one
  参考文献：
  名称：

  New pyrrolidin-, piperidin- and azepin-2-oxocarboxylic acid esters are preferential M1, M3 muscarinic antagonists. Synthesis and bronchospasmolytic activity

  摘要：

  A series of new 3-tropanol and 3-quinuclidinol esters of phenyl-substituted pyrrolidin-, piperidin- and azepin-2-oxocarboxylic acid were synthesized and tested for antimuscarinic activity. The compounds showed a preferential in vitro activity at M(1) and M(3) receptor subtypes and an interesting activity profile in vivo. A potential use as selective bronchospasmolytic agents has been suggested for selected compounds.

  DOI：

  10.1016/0223-5234(94)90068-x
• 作为产物：
  描述：

  2-cyano-2-phenyldiethyl glutarate 在 硫酸 作用下， 以 水 为溶剂， 以87%的产率得到2-phenyl-2-carbamyldiethyl glutarate
  参考文献：
  名称：

  New pyrrolidin-, piperidin- and azepin-2-oxocarboxylic acid esters are preferential M1, M3 muscarinic antagonists. Synthesis and bronchospasmolytic activity

  摘要：

  A series of new 3-tropanol and 3-quinuclidinol esters of phenyl-substituted pyrrolidin-, piperidin- and azepin-2-oxocarboxylic acid were synthesized and tested for antimuscarinic activity. The compounds showed a preferential in vitro activity at M(1) and M(3) receptor subtypes and an interesting activity profile in vivo. A potential use as selective bronchospasmolytic agents has been suggested for selected compounds.

  DOI：

  10.1016/0223-5234(94)90068-x

文献信息

• New pyrrolidin-, piperidin- and azepin-2-oxocarboxylic acid esters are preferential M1, M3 muscarinic antagonists. Synthesis and bronchospasmolytic activity
  作者：E Cereda、A Ezhaya、E Bellora、GB Schiavi、A Sagrada、HN Doods、A Donetti

  DOI：10.1016/0223-5234(94)90068-x

  日期：1994.1

  A series of new 3-tropanol and 3-quinuclidinol esters of phenyl-substituted pyrrolidin-, piperidin- and azepin-2-oxocarboxylic acid were synthesized and tested for antimuscarinic activity. The compounds showed a preferential in vitro activity at M(1) and M(3) receptor subtypes and an interesting activity profile in vivo. A potential use as selective bronchospasmolytic agents has been suggested for selected compounds.