(5-bromobenzo[d]isothiazol-3-yl)(4-isopropylphenyl)methanone | 1207561-60-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (5-bromobenzo[d]isothiazol-3-yl)(4-isopropylphenyl)methanone
• CAS: 1207561-60-1
• 化学式: C₁₇H₁₄BrNOS
• 分子量: 360.274
• InChiKey: FXLAQUYWWCPBIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.41
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  29.96
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (5-bromobenzo[d]isothiazol-3-yl)(4-isopropylphenyl)methanone 在 三乙基硅烷 、 三氟乙酸 作用下， 生成 5-bromo-3-(4-isopropylbenzyl)benzo[d]isothiazole
  参考文献：
  名称：

  Synthesis and SAR of Benzisothiazole- and Indolizine-β-d-glucopyranoside Inhibitors of SGLT2

  摘要：

  A series of benzisothiazole- and indolizine-beta-D-glucopyranoside inhibitors of human SGLT2 are described. The synthesis of the Clinked heterocyclic glucosides took advantage of a palladium-catalyzed cross-coupling reaction between a glucal boronate and the corresponding bromo heterocycle. The compounds have been evaluated for their human SGLT2 inhibition potential using cell-based functional transporter assays, and their structure activity relationships have been described Benzisothiazole-C-glucoside 16d was found to be an inhibitor of SGLT2 with an IC50 of 10 nM

  DOI：

  10.1021/ml900010b
• 作为产物：
  描述：

  5-bromo-N-methoxy-N-methylbenzo[d]isothiazole-3-carboxamide 、 magnesium,propan-2-ylbenzene,bromide 以 四氢呋喃 为溶剂， 生成 (5-bromobenzo[d]isothiazol-3-yl)(4-isopropylphenyl)methanone
  参考文献：
  名称：

  Synthesis and SAR of Benzisothiazole- and Indolizine-β-d-glucopyranoside Inhibitors of SGLT2

  摘要：

  A series of benzisothiazole- and indolizine-beta-D-glucopyranoside inhibitors of human SGLT2 are described. The synthesis of the Clinked heterocyclic glucosides took advantage of a palladium-catalyzed cross-coupling reaction between a glucal boronate and the corresponding bromo heterocycle. The compounds have been evaluated for their human SGLT2 inhibition potential using cell-based functional transporter assays, and their structure activity relationships have been described Benzisothiazole-C-glucoside 16d was found to be an inhibitor of SGLT2 with an IC50 of 10 nM

  DOI：

  10.1021/ml900010b