7-Nitro-2,3-dihydro-1,4lambda6-benzoxathiine 4,4-dioxide | 1393598-59-8

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 7-Nitro-2,3-dihydro-1,4lambda6-benzoxathiine 4,4-dioxide
• 英文别名: 7-nitro-2,3-dihydro-1,4λ6-benzoxathiine 4,4-dioxide
• CAS: 1393598-59-8
• 化学式: C₈H₇NO₅S
• 分子量: 229.213
• InChiKey: KGMCSLRJJHOHHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  97.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  7-Nitro-2,3-dihydro-1,4lambda6-benzoxathiine 4,4-dioxide 在 三乙酰氧基硼氢化钠 、 铁粉 、 溶剂黄146 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 C₂₁H₃₂N₂O₅S
  参考文献：
  名称：

  Synthesis and SAR studies of bicyclic amine series GPR119 agonists

  摘要：

  We disclosed a novel series of G-protein coupled receptor 119 (GPR119) agonists based on a bicyclic amine scaffold. Through the optimization of hit compound 1, we discovered that the basic nitrogen atom of bicyclic amine played an important role in GPR119 agonist activity expression and that an indanone in various bicyclic rings was suitable in this series of compounds. The indanone derivative 2 showed the effect of plasma glucose control in oGTT and scGTT in the rodent model. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.117
• 作为产物：
  描述：

  1,2-亚甲基双氧-4-硝基苯 在 N,N-二异丙基乙胺 、 间氯过氧苯甲酸 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 N-甲基吡咯烷酮 、 二氯甲烷 、 甲苯 为溶剂， 生成 7-Nitro-2,3-dihydro-1,4lambda6-benzoxathiine 4,4-dioxide
  参考文献：
  名称：

  Synthesis and SAR studies of bicyclic amine series GPR119 agonists

  摘要：

  We disclosed a novel series of G-protein coupled receptor 119 (GPR119) agonists based on a bicyclic amine scaffold. Through the optimization of hit compound 1, we discovered that the basic nitrogen atom of bicyclic amine played an important role in GPR119 agonist activity expression and that an indanone in various bicyclic rings was suitable in this series of compounds. The indanone derivative 2 showed the effect of plasma glucose control in oGTT and scGTT in the rodent model. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.117

文献信息

• Synthesis and SAR studies of bicyclic amine series GPR119 agonists
  作者：Masao Sakairi、Masakazu Kogami、Masafumi Torii、Hiroyo Kataoka、Hiroki Fujieda、Mitsuhiro Makino、Daisuke Kataoka、Ryuji Okamoto、Toshiyuki Miyazawa、Morio Okabe、Megumi Inoue、Naoki Takahashi、Satoko Harada、Nobuhide Watanabe

  DOI：10.1016/j.bmcl.2012.05.117

  日期：2012.8

  We disclosed a novel series of G-protein coupled receptor 119 (GPR119) agonists based on a bicyclic amine scaffold. Through the optimization of hit compound 1, we discovered that the basic nitrogen atom of bicyclic amine played an important role in GPR119 agonist activity expression and that an indanone in various bicyclic rings was suitable in this series of compounds. The indanone derivative 2 showed the effect of plasma glucose control in oGTT and scGTT in the rodent model. (C) 2012 Elsevier Ltd. All rights reserved.