2,2-Dimethyl-5-[methylsulfanyl-(3-triisopropylsilanyloxy-indan-5-yl)-methylene]-[1,3]dioxane-4,6-dione | 552868-00-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 2,2-Dimethyl-5-[methylsulfanyl-(3-triisopropylsilanyloxy-indan-5-yl)-methylene]-[1,3]dioxane-4,6-dione
• 英文别名: 2,2-dimethyl-5-[methylsulfanyl-[3-tri(propan-2-yl)silyloxy-2,3-dihydro-1H-inden-5-yl]methylidene]-1,3-dioxane-4,6-dione
• CAS: 552868-00-5
• 化学式: C₂₆H₃₈O₅SSi
• 分子量: 490.736
• InChiKey: RXJMPRCXMIGDLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.78
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  87.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,2-Dimethyl-5-[methylsulfanyl-(3-triisopropylsilanyloxy-indan-5-yl)-methylene]-[1,3]dioxane-4,6-dione 在 盐酸 作用下， 以 二苯醚 为溶剂， 反应 18.0h， 生成 2-(2,3-Dihydro-3-hydroxy-1H-inden-5-yl)-7-methoxy-6-(5-oxazolyl)-4(1H)-quinolinone
  参考文献：
  名称：

  Quinolone-Based IMPDH inhibitors: introduction of basic residues on ring D and SAR of the corresponding mono, di and benzofused analogues

  摘要：

  The synthesis and the structure-activity relationships (SAR) of analogues derived from the introduction of basic residues on ring D of quinolone based inhibitors of IMPDH are described. This led to the identification of compound 27 as a potent inhibitor of IMPDH with significantly improved aqueous solubility over the lead compound 1. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00945-9
• 作为产物：
  描述：

  6-溴茚酮 在 2,6-二甲基吡啶 、 sodium tetrahydroborate 、 magnesium 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 生成 2,2-Dimethyl-5-[methylsulfanyl-(3-triisopropylsilanyloxy-indan-5-yl)-methylene]-[1,3]dioxane-4,6-dione
  参考文献：
  名称：

  Quinolone-Based IMPDH inhibitors: introduction of basic residues on ring D and SAR of the corresponding mono, di and benzofused analogues

  摘要：

  The synthesis and the structure-activity relationships (SAR) of analogues derived from the introduction of basic residues on ring D of quinolone based inhibitors of IMPDH are described. This led to the identification of compound 27 as a potent inhibitor of IMPDH with significantly improved aqueous solubility over the lead compound 1. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00945-9