ethyl 5-((3-(5,6-dimethyl-1H-benzo[d]imidazole-2-yl)propyl)(methyl)amino)-2-isopropyl-2-phenylpentanoate | 1061284-81-8

• 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-((3-(5,6-dimethyl-1H-benzo[d]imidazole-2-yl)propyl)(methyl)amino)-2-isopropyl-2-phenylpentanoate
• 英文别名: ethyl 5-((3-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)propyl)(methyl)amino)-2-isopropyl-2-phenylpentanoate；ethyl 5-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)propyl-methylamino]-2-phenyl-2-propan-2-ylpentanoate
• CAS: 1061284-81-8
• 化学式: C₂₉H₄₁N₃O₂
• 分子量: 463.663
• InChiKey: LGFPWQKLNYNGIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  34
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  58.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  ethyl 5-bromo-2-isopropyl-2-phenylpentanoate 、 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine 在 potassium carbonate 作用下， 以 乙醇 为溶剂， 生成 ethyl 5-((3-(5,6-dimethyl-1H-benzo[d]imidazole-2-yl)propyl)(methyl)amino)-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

文献信息

• NOVEL PHENYLACETATE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASES INDUCED BY ACTIVATION OF T-TYPE CALCIUM ION CHANNEL CONTAINING THE SAME AS AN ACTIVE INGREDIENT
  申请人：SHIN Kye Jung

  公开号：US20100056545A1

  公开（公告）日：2010-03-04

  Disclosed herein are a new phenylacetate derivative represented by Chemical Formula 1 or pharmaceutically acceptable salt thereof, a preparation method thereof, and a composition for prevention or treatment of diseases induced by the activation of T-type calcium ion channels containing the same. The composition containing the phenylacetate derivative according to the present invention effectively inhibits the activation of T-type calcium ion channels and may be useful in the prevention or treatment of diseases such as hypertension, cancer, epilepsy, and neurogenic pains induced by the activation of T-type calcium ion channels. wherein, X, R 1 , and R 3 are as defined herein.

  本公开揭示了一种由化学式1表示的新苯乙酸盐衍生物或其药用可接受的盐，其制备方法以及含有该衍生物的预防或治疗由T型钙离子通道激活引起的疾病的组合物。根据本发明的含有苯乙酸盐衍生物的组合物有效抑制T型钙离子通道的激活，并可能在预防或治疗高血压、癌症、癫痫和由T型钙离子通道激活引起的神经痛等疾病中发挥作用。其中，X，R1和R3如本文所定义。
• US7939672B2
  申请人：——

  公开号：US7939672B2

  公开（公告）日：2011-05-10
• Synthesis and evaluation of α,α′-disubstituted phenylacetate derivatives for T-type calcium channel blockers
  作者：Hyung Kook Lee、Yun Suk Lee、Eun Joo Roh、Hyewhon Rhim、Jae Yeol Lee、Kye Jung Shin

  DOI：10.1016/j.bmcl.2008.06.037

  日期：2008.8

  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.