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

文献信息

• Quinolone-Based IMPDH inhibitors: introduction of basic residues on ring D and SAR of the corresponding mono, di and benzofused analogues
  作者：T.G.Murali Dhar、Scott H. Watterson、Ping Chen、Zhongqi Shen、Henry H. Gu、Derek Norris、Marianne Carlsen、Kristin D. Haslow、William J. Pitts、Junqing Guo、John Chorba、Catherine A. Fleener、Katherine A. Rouleau、Robert Townsend、Diane Hollenbaugh、Edwin J. Iwanowicz

  DOI：10.1016/s0960-894x(02)00945-9

  日期：2003.2

  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.