7-[(S)-1-Benzyloxymethyl-2-(tert-butyl-diphenyl-silanyloxy)-ethylcarbamoyl]-heptanoic acid methyl ester | 911437-82-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 7-[(S)-1-Benzyloxymethyl-2-(tert-butyl-diphenyl-silanyloxy)-ethylcarbamoyl]-heptanoic acid methyl ester
• CAS: 911437-82-6
• 化学式: C₃₅H₄₇NO₅Si
• 分子量: 589.847
• InChiKey: JYPDPICFKCRWNR-PMERELPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.78
• 重原子数：
  42.0
• 可旋转键数：
  17.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  73.86
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  7-[(S)-1-Benzyloxymethyl-2-(tert-butyl-diphenyl-silanyloxy)-ethylcarbamoyl]-heptanoic acid methyl ester 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 以84%的产率得到7-((R)-2-Benzyloxy-1-hydroxymethyl-ethylcarbamoyl)-heptanoic acid methyl ester
  参考文献：
  名称：

  Exploring alternative Zn-binding groups in the design of HDAC inhibitors: Squaric acid, N-hydroxyurea, and oxazoline analogues of SAHA

  摘要：

  Analogues of suberoylanilide hydroxamic acid (SAHA) were prepared by replacing the Zn-binding group with squaric acid, N-hydroxyurea, and 4-hydroxymethyl oxazoline units, also varying the length of the aliphatic chain. No inhibitory activity on HDAC was observed below 1.0 mu M and no cytotoxic activity on different tumor cell lines was seen below 20.0 mu M. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.090
• 作为产物：
  描述：

  、 辛二酸单甲酯 在 4-二甲氨基吡啶 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 二氯甲烷 为溶剂， 以82%的产率得到7-[(S)-1-Benzyloxymethyl-2-(tert-butyl-diphenyl-silanyloxy)-ethylcarbamoyl]-heptanoic acid methyl ester
  参考文献：
  名称：

  Exploring alternative Zn-binding groups in the design of HDAC inhibitors: Squaric acid, N-hydroxyurea, and oxazoline analogues of SAHA

  摘要：

  Analogues of suberoylanilide hydroxamic acid (SAHA) were prepared by replacing the Zn-binding group with squaric acid, N-hydroxyurea, and 4-hydroxymethyl oxazoline units, also varying the length of the aliphatic chain. No inhibitory activity on HDAC was observed below 1.0 mu M and no cytotoxic activity on different tumor cell lines was seen below 20.0 mu M. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.090