ethyl 5-bromo-2-isopropyl-2-phenylpentanoate | 1061284-72-7

• 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: ethyl 5-bromo-2-isopropyl-2-phenylpentanoate
• CAS: 1061284-72-7
• 化学式: C₁₆H₂₃BrO₂
• 分子量: 327.261
• InChiKey: LBLRKTHSVVRAAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.32
• 重原子数：
  19.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-(4-甲氧苄基)哌嗪 、 ethyl 5-bromo-2-isopropyl-2-phenylpentanoate 在 三乙胺 、 sodium iodide 作用下， 以 乙腈 为溶剂， 生成 ethyl 2-isopropyl-5-(4-(4-methoxybenzyl)piperazine-1-yl)-2-phenylpentanoate
  参考文献：
  名称：

  Synthesis and evaluation of α,α′-disubstituted phenylacetate derivatives for T-type calcium channel blockers

  摘要：

  We have synthesized and evaluated alpha,alpha'-disubstituted phenylacetate derivatives that were designed as T-type calcium channel blockers. Among them, compound 10e (IC50 = 8.17 +/- 0.48 nM) showed the most potent T-type calcium current blocking activity and higher potency than Mibefradil (IC50 = 1.34 +/- 0.49 mu M). The PK profile and subtype selectivity over L-type calcium channel were satisfied for further animal assay using disease model. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.06.037
• 作为产物：
  描述：

  3-Methyl-2-phenylbutansaeure-ethylester 、 1,3-二溴丙烷 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 生成 ethyl 5-bromo-2-isopropyl-2-phenylpentanoate
  参考文献：
  名称：

  Synthesis and evaluation of α,α′-disubstituted phenylacetate derivatives for T-type calcium channel blockers

  摘要：

  We have synthesized and evaluated alpha,alpha'-disubstituted phenylacetate derivatives that were designed as T-type calcium channel blockers. Among them, compound 10e (IC50 = 8.17 +/- 0.48 nM) showed the most potent T-type calcium current blocking activity and higher potency than Mibefradil (IC50 = 1.34 +/- 0.49 mu M). The PK profile and subtype selectivity over L-type calcium channel were satisfied for further animal assay using disease model. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.06.037