2-溴-1-(3-(叔丁基)苯基)乙烷-1-酮 | 1229037-77-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-溴-1-(3-(叔丁基)苯基)乙烷-1-酮
• 英文名称: 2-bromo-1-(3-tert-butylphenyl)ethanone
• 英文别名: 2-Bromo-1-[3-(tert-butyl)phenyl]ethanone
• CAS: 1229037-77-7
• 化学式: C₁₂H₁₅BrO
• 分子量: 255.155
• InChiKey: ZEDMENALRQNCBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-溴-1-(3-(叔丁基)苯基)乙烷-1-酮 在 sodium tetrahydroborate 、 sodium t-butanolate 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 6.0h， 生成 3-[[4-[2-[tert-butoxycarbonyl(methyl)amino]-1-(3-tert-butylphenyl)ethoxy]- 6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]benzoic acid
  参考文献：
  名称：

  [EN] MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR
  [FR] MODULATEURS DU RÉGULATEUR DE LA CONDUCTANCE TRANSMEMBRANAIRE DE LA FIBROSE KYSTIQUE

  摘要：

  本披露提供了囊性纤维化跨膜传导调节器（CFTR）调节剂，其具有核心结构（I），包含至少一种这样的调节剂的制药组合物，使用这样的调节剂和制药组合物治疗CFTR介导的疾病，包括囊性纤维化，组合制药组合物和使用这些调节剂的组合疗法，以及制造这些调节剂的过程和中间体。

  公开号：

  WO2022076622A3
• 作为产物：
  描述：

  间叔丁基苯乙酮 在 溴 作用下， 以 氯仿 为溶剂， 以55%的产率得到2-溴-1-(3-(叔丁基)苯基)乙烷-1-酮
  参考文献：
  名称：

  Inhibition of Protein Kinase C-Driven Nuclear Factor-κB Activation: Synthesis, Structure−Activity Relationship, and Pharmacological Profiling of Pathway Specific Benzimidazole Probe Molecules

  摘要：

  A unique series of biologically active chemical probes that selectively inhibit NF-kappa B activation induced by protein kinase C (PKC) pathway activators have been identified through a cell-based phenotypic reporter gene assay. These 2-aminobenzimidazoles represent initial chemical tools to be used in gaining further understanding on the cellular mechanisms driven by B and T cell antigen receptors. Starting from the founding member of this chemical series 1a (notated in PubChem as CID-2858522), we report the chemical synthesis, SAR studies, and pharmacological profiling of this pathway-selective inhibitor of NF-kappa B activation.

  DOI：

  10.1021/jm1000248

文献信息

• SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES
  申请人：Masarykova univerzita

  公开号：EP3556755A1

  公开（公告）日：2019-10-23

  The invention provides compounds represented by the structural formula (1): wherein R1, R2, R3, R4, R5, R6 are as defined in the claims. The compounds are inhibitors of nucleases, and are useful in particular in a method of treatment and/or prevention of proliferative diseases, neurodegenerative diseases, and other genomic instability associated diseases.

  本发明提供了结构式（1）所代表的化合物： 其中 R1、R2、R3、R4、R5、R6 如权利要求中定义。这些化合物是核酸酶的抑制剂，特别适用于增殖性疾病、神经退行性疾病和其他基因组不稳定性相关疾病的治疗和/或预防方法。
• Ago-allosteric modulators of human glucagon-like peptide 2 receptor
  作者：Kazuto Yamazaki、Hiroki Terauchi、Daisuke Iida、Hironori Fukumoto、Shuichi Suzuki、Takaki Kagaya、Mika Aoki、Koichiro Koyama、Takashi Seiki、Kazuma Takase、Misako Watanabe、Tohru Arai、Kappei Tsukahara、Junichi Nagakawa

  DOI：10.1016/j.bmcl.2012.08.026

  日期：2012.10

  Glucagon-like peptide 2 (GLP-2) is an intestinotropic peptide that binds to GLP-2 receptor (GLP-2R), a class-B G protein-coupled receptor (GPCR). Few synthetic agonists have been reported so far for class-B GPCRs. Here, we report the first scaffold compounds of ago-allosteric modulators for human GLP-2R, derived from methyl 2-[(2Z)-2-(2,5-dichlorothiophen-3-yl)-2-(hydroxyimino) ethyl] sulfanyl}benzoate (compound 1). (C) 2012 Elsevier Ltd. All rights reserved.
• US3965181A
  申请人：——

  公开号：US3965181A

  公开（公告）日：1976-06-22
• US4033978A
  申请人：——

  公开号：US4033978A

  公开（公告）日：1977-07-05
• Inhibition of Protein Kinase C-Driven Nuclear Factor-κB Activation: Synthesis, Structure−Activity Relationship, and Pharmacological Profiling of Pathway Specific Benzimidazole Probe Molecules
  作者：Satyamaheshwar Peddibhotla、Ranxin Shi、Pasha Khan、Layton H. Smith、Arianna Mangravita-Novo、Michael Vicchiarelli、Ying Su、Karl J. Okolotowicz、John R. Cashman、John C. Reed、Gregory P. Roth

  DOI：10.1021/jm1000248

  日期：2010.6.24

  A unique series of biologically active chemical probes that selectively inhibit NF-kappa B activation induced by protein kinase C (PKC) pathway activators have been identified through a cell-based phenotypic reporter gene assay. These 2-aminobenzimidazoles represent initial chemical tools to be used in gaining further understanding on the cellular mechanisms driven by B and T cell antigen receptors. Starting from the founding member of this chemical series 1a (notated in PubChem as CID-2858522), we report the chemical synthesis, SAR studies, and pharmacological profiling of this pathway-selective inhibitor of NF-kappa B activation.