(4S,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-9-methoxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: (4S,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-9-methoxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
• 化学式: C₂₁H₂₅NO₄
• 分子量: 355.434
• InChiKey: DSMNGWOUQMYTJH-LRGNLBRXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  59
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (4S,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-9-methoxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one 在 混旋樟脑磺酸 、 sodium acetate 、 potassium carbonate 、 氯化铵 作用下， 以 甲醇 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of Novel 1,3-Dioxa-5-thiazatriquinane and 1-Oxa-3,5-dithiazatriquinane Derivatives and Their Pharmacologies

  摘要：

  Novel triplet compounds with the 1,3-dioxa-5-thiazatriquinane and 1-oxa-3,5-dithiazatriquinane skeletons have been synthesized via the enantiomerically pure oxazoline intermediates. Their assay results showed that the substitution of sulfur atoms for the oxygen atoms increased the affinities for the opioid receptors and affected to the expression of the agonistic/antagonistic activities.

  DOI：

  10.3987/com-18-s(t)40

文献信息

• Synthesis of Novel 1,3-Dioxa-5-thiazatriquinane and 1-Oxa-3,5-dithiazatriquinane Derivatives and Their Pharmacologies
  作者：Hiroshi Nagase、Ryuichiro Ohshita、Noriki Kutsumura、Yasuyuki Nagumo、Naoshi Yamamoto、Tsuyoshi Saitoh、Shigeto Hirayama

  DOI：10.3987/com-18-s(t)40

  日期：——

  Novel triplet compounds with the 1,3-dioxa-5-thiazatriquinane and 1-oxa-3,5-dithiazatriquinane skeletons have been synthesized via the enantiomerically pure oxazoline intermediates. Their assay results showed that the substitution of sulfur atoms for the oxygen atoms increased the affinities for the opioid receptors and affected to the expression of the agonistic/antagonistic activities.