(R)-1-(3,4-difluorophenyl)propylamine | 847448-32-2

• 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: (R)-1-(3,4-difluorophenyl)propylamine
• 英文别名: (R)-1-(3,4-Difluorophenyl)propan-1-amine；(1R)-1-(3,4-difluorophenyl)propan-1-amine
• CAS: 847448-32-2
• 化学式: C₉H₁₁F₂N
• 分子量: 171.19
• InChiKey: LWTZLRLBBSSNEN-SECBINFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2921499090

反应信息

• 作为反应物：
  描述：

  (R)-1-(3,4-difluorophenyl)propylamine 在 TEA 作用下， 以 N,N-二甲基甲酰胺 、 xylene 为溶剂， 反应 78.0h， 生成 {[(R)-1-(3,4-Difluoro-phenyl)-propyl]-formyl-amino}-acetic acid methyl ester
  参考文献：
  名称：

  2-Mercaptoimidazoles, a new class of potent CCR2 antagonists

  摘要：

  We describe the synthesis and SAR of a new class of CCR2 antagonists based on a 2-mercaptoimidazole scaffold. The initial lead 1a was optimized to the 3,4-disubstituted analogues 1p-(S) and 1q-(S), which have IC50 values in the MCP-1 induced Ca-flux below 0.01 muM. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.064
• 作为产物：
  描述：

  4-[(1R)-1-azidopropyl]-1,2-difluorobenzene 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 以75%的产率得到(R)-1-(3,4-difluorophenyl)propylamine
  参考文献：
  名称：

  2-Mercaptoimidazoles, a new class of potent CCR2 antagonists

  摘要：

  We describe the synthesis and SAR of a new class of CCR2 antagonists based on a 2-mercaptoimidazole scaffold. The initial lead 1a was optimized to the 3,4-disubstituted analogues 1p-(S) and 1q-(S), which have IC50 values in the MCP-1 induced Ca-flux below 0.01 muM. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.064

文献信息

• Synthesis and structure–activity relationships of new disubstituted phenyl-containing 3,4-diamino-3-cyclobutene-1,2-diones as CXCR2 receptor antagonists
  作者：Gaifa Lai、J. Robert Merritt、Zhenmin He、Daming Feng、Jianhua Chao、Michael F. Czarniecki、Laura L. Rokosz、Tara M. Stauffer、Diane Rindgen、Arthur G. Taveras

  DOI：10.1016/j.bmcl.2008.02.010

  日期：2008.3

  A series of 3,4- and 3,5-disubstituted phenyl-containing cyclobutenedione analogues were synthesized and evaluated as CXCR2 receptor antagonists. Variations in the disubstitution pattern of the phenyl ring afforded new compounds with potent CXCR2 binding affinity in the low nanomolar ranges. Moreover, two potent compounds 19 and 26 exhibited good oral pharmacokinetic profiles.

  合成了一系列的3,4-和3,5-二取代的含苯基环丁烯二酮类似物，并将其评估为CXCR2受体拮抗剂。苯环解离模式的变化提供了在低纳摩尔范围内具有有效CXCR2结合亲和力的新化合物。此外，两种有效的化合物19和26表现出良好的口服药代动力学特征。
• BENZOPYRROLIDONE DERIVATIVES POSSESSING ANTIVIRAL AND ANTICANCER PROPERTIES
  申请人：Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V.

  公开号：EP3056202A1

  公开（公告）日：2016-08-17

  The present invention relates to benzopyrrolidone derivatives and/or pharmaceutically acceptable salts thereof for the use in the treatment of infectious diseases or cancer, and pharmaceutical compositions containing at least one of said benzopyrrolidone derivatives and/or pharmaceutically acceptable salts thereof for the use in the treatment of infectious diseases or cancer.

  本发明涉及苯并吡咯烷酮衍生物和/或其药用可接受盐，用于治疗传染病或癌症，并包含至少一种所述苯并吡咯烷酮衍生物和/或其药用可接受盐的药物组合物，用于治疗传染病或癌症。
• [EN] THERAPEUTIC COMPOUNDS AND COMPOSITIONS<br/>[FR] COMPOSÉS ET COMPOSITIONS THÉRAPEUTIQUES
  申请人：EXITHERA PHARMACEUTICALS INC

  公开号：WO2018118705A1

  公开（公告）日：2018-06-28

  The present invention provides compounds that inhibit Factor XIa or kallikrein and pharmaceutically acceptable salts thereof and compositions thereof. The present invention also provides methods of using these compounds and compositions.

  本发明提供了抑制因子XIa或激肽酶以及其药用盐和组合物的化合物。本发明还提供了使用这些化合物和组合物的方法。
• Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2
  作者：James F. Blake、John J. Gaudino、Jason De Meese、Peter Mohr、Mark Chicarelli、Hongqi Tian、Rustam Garrey、Allen Thomas、Christopher S. Siedem、Michael B. Welch、Gabrielle Kolakowski、Robert Kaus、Michael Burkard、Matthew Martinson、Huifen Chen、Brian Dean、Danette A. Dudley、Stephen E. Gould、Patricia Pacheco、Sheerin Shahidi-Latham、Weiru Wang、Kristina West、Jianping Yin、John Moffat、Jacob B. Schwarz

  DOI：10.1016/j.bmcl.2014.04.068

  日期：2014.6

  The discovery and optimization of a series of tetrahydropyridopyrimidine based extracellular signal-regulated kinase (Erks) inhibitors discovered via HTS and structure based drug design is reported. The compounds demonstrate potent and selective inhibition of Erk2 and knockdown of phospho-RSK levels in HepG2 cells and tumor xenografts. (C) 2014 Elsevier Ltd. All rights reserved.
• SERINE/THREONINE KINASE INHIBITORS
  申请人：Array Biopharma, Inc.

  公开号：EP2681215B1

  公开（公告）日：2015-04-22