3-(3-chloro-4-methoxyphenyl)propanal

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(3-chloro-4-methoxyphenyl)propanal
• 化学式: C₁₀H₁₁ClO₂
• 分子量: 198.649
• InChiKey: ICVFHXRZLAOUEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(3-chloro-4-methoxyphenyl)propanal 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium carbonate 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 以79.05 %的产率得到7-bromo-2-[2-(3-chloro-4-methoxyphenyl)ethyl]-N-cyclohexylimidazo[1,2-a]pyridin-3-amine
  参考文献：
  名称：

  [EN] COMPOUNDS AND METHODS FOR TREATING FRIEDREICH'S ATAXIA
  [FR] COMPOSÉS ET PROCÉDÉS DE TRAITEMENT DE L'ATAXIE DE FRIEDREICH

  摘要：

  The present disclosure relates to compounds and methods for modulating the expression offxn,and treating diseases and conditions in whichfxnplays an active role.

  公开号：

  WO2023219939A1
• 作为产物：
  描述：

  3-(3-chloro-4-methoxyphenyl)propan-1-ol 在 D-M reagent 作用下， 以 二氯甲烷 为溶剂， 以56.57 %的产率得到3-(3-chloro-4-methoxyphenyl)propanal
  参考文献：
  名称：

  [EN] COMPOUNDS AND METHODS FOR TREATING FRIEDREICH'S ATAXIA
  [FR] COMPOSÉS ET PROCÉDÉS DE TRAITEMENT DE L'ATAXIE DE FRIEDREICH

  摘要：

  The present disclosure relates to compounds and methods for modulating the expression offxn,and treating diseases and conditions in whichfxnplays an active role.

  公开号：

  WO2023219939A1

文献信息

• Development of Dimethylisoxazole-Attached Imidazo[1,2-<i>a</i>]pyridines as Potent and Selective CBP/P300 Inhibitors
  作者：Alex Muthengi、Virangika K. Wimalasena、Hailemichael O. Yosief、Melissa J. Bikowitz、Logan H. Sigua、Tingjian Wang、Deyao Li、Zied Gaieb、Gagan Dhawan、Shuai Liu、Jon Erickson、Rommie E. Amaro、Ernst Schönbrunn、Jun Qi、Wei Zhang

  DOI：10.1021/acs.jmedchem.0c02232

  日期：2021.5.13

  highly efficient two-step synthetic route for dimethylisoxazole-attached imidazo[1,2-a]pyridine scaffold-containing inhibitors. Our efficient two-step reactions enabled high-throughput synthesis of compounds designed by molecular modeling, which together with structure–activity relationship (SAR) studies facilitated an overarching understanding of selective targeting of CBP/EP300 over non-BET bromodomains

  使用表观遗传溴结构域抑制剂作为抗癌治疗剂已从靶向溴结构域外末端结构域 (BET) 蛋白转变为靶向非 BET 溴结构域。两个最相关的非 BET 溴结构域肿瘤学靶标是环 AMP 反应元件结合蛋白 (CBP) 和 E1A 结合蛋白 P300 (EP300)。为了探索日益增长的 CBP/EP300 兴趣，我们开发了一种高效的二甲基异恶唑连接咪唑的两步合成路线[1,2- a]含吡啶支架的抑制剂。我们高效的两步反应使通过分子建模设计的化合物的高通量合成成为可能，这与结构-活性关系 (SAR) 研究一起促进了对 CBP/EP300 选择性靶向非 BET 溴结构域的总体理解。这导致了一种新的有效和选择性 CBP/EP300 溴结构域抑制剂 UMB298（化合物23，CBP IC 50 72 nM 和溴结构域 4，BRD4 IC 50 5193 nM）的鉴定。我们建立的 SAR 与文献报道的 CBP 抑制剂（如
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  公开号：US9744153B2

  公开（公告）日：2017-08-29
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