3,3-difluoropropanal

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,3-difluoropropanal
• 英文别名: 3,3-difluoro-propionaldehyde；3,3-Difluor-propionaldehyd
• 化学式: C₃H₄F₂O
• 分子量: 94.061
• InChiKey: YLYOGKKQZANYFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  6
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,3-difluoropropanal 、 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 1,2-二氯乙烷 为溶剂， 生成
  参考文献：
  名称：

  An octahydro-cyclopenta[c]pyrrole series of inhibitors of the type 1 glycine transporter

  摘要：

  We describe a novel series of inhibitors of the type 1 glycine transporter (GlyT1) as an approach to relieving the glutamatergic deficit that is thought to underlie schizophrenia. Synthesis and SAR follow-up of a series of octahydro-cyclopenta[c]pyrrole derivatives afforded potent in vitro inhibition of GlyT1 as well as in vivo activity in elevating CSF glycine. We also found that a 3-O(c-pentyl), 4-F substituent may serve as a surrogate for the widely used 3-trifluoromethoxy group, suggesting its application as an isostere for future medicinal chemistry studies. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.12.071
• 作为产物：
  描述：

  偏氟乙烯 、 alkaline earth salt of/the/ methylsulfuric acid 在 异丙苯 、 dicobalt octacarbonyl 、 氢气 作用下， 120.0 ℃ 、23.04 MPa 条件下， 生成 3,3-difluoropropan-1-ol 、 3,3-difluoropropanal
  参考文献：
  名称：

  DE1007771

  摘要：

  公开号：

文献信息

• Efficient Synthesis of New Fluorinated Building Blocks by means of Hydroformylation
  作者：Lidia Fanfoni、Lisa Diab、Tomas Smejkal、Bernhard Breit

  DOI：10.2533/chimia.2014.371

  日期：——

  Hydroformylation of fluorinated alkenes is an efficient method for the preparation of fluorinated functionalized building blocks for the synthesis of biologically active target structures. In this article we summarize known hydroformylation reactions of fluorinated olefins and we add new results from our research groups. Particular attention is paid to the remarkable influence of organofluorine substituents

  氟化烯烃的加氢甲酰化是制备用于合成生物活性靶结构的氟化官能化结构单元的有效方法。在本文中，我们总结了氟化烯烃的已知加氢甲酰化反应，并增加了我们研究组的新结果。特别注意有机氟取代基对加氢甲酰化反应的催化剂活性，区域选择性和立体选择性的显着影响。
• Synthesis and structure-activity optimization of azepane-containing derivatives as PTPN2/PTPN1 inhibitors
  作者：Jiamin Zheng、Zhisen Zhang、Xiaoyu Ding、Deheng Sun、Lihua Min、Feng Wang、Sujing Shi、Xin Cai、Man Zhang、Alex Aliper、Feng Ren、Xiao Ding、Alex Zhavoronkov

  DOI：10.1016/j.ejmech.2024.116390

  日期：2024.4

  The inhibition of PTPN2 and PTPN1 has emerged as an attractive approach to sensitize T cell anti-tumor immunity. Two small molecule inhibitors have been entered the clinic. Here we report the design and development of compound , a novel small molecule PTPN2/N1 inhibitor demonstrating nanomolar inhibitory potency, good oral bioavailability, and robust antitumor efficacy.

  蛋白酪氨酸磷酸酶 PTPN2 和 PTPN1（也称为 PTP1B）与免疫细胞的许多细胞内信号传导通路有关。 PTPN2 和 PTPN1 的抑制已成为增强 T 细胞抗肿瘤免疫敏感性的一种有吸引力的方法。两种小分子抑制剂已进入临床。在这里，我们报告了化合物 的设计和开发，这是一种新型小分子 PTPN2/N1 抑制剂，具有纳摩尔级抑制效力、良好的口服生物利用度和强大的抗肿瘤功效。
• DE1007771
  申请人：——

  公开号：——

  公开（公告）日：——
• An octahydro-cyclopenta[c]pyrrole series of inhibitors of the type 1 glycine transporter
  作者：John A. Lowe、Shari L. DeNinno、Susan E. Drozda、Christopher J. Schmidt、Karen M. Ward、F. David Tingley、Mark Sanner、Don Tunucci、James Valentine

  DOI：10.1016/j.bmcl.2009.12.071

  日期：2010.2

  We describe a novel series of inhibitors of the type 1 glycine transporter (GlyT1) as an approach to relieving the glutamatergic deficit that is thought to underlie schizophrenia. Synthesis and SAR follow-up of a series of octahydro-cyclopenta[c]pyrrole derivatives afforded potent in vitro inhibition of GlyT1 as well as in vivo activity in elevating CSF glycine. We also found that a 3-O(c-pentyl), 4-F substituent may serve as a surrogate for the widely used 3-trifluoromethoxy group, suggesting its application as an isostere for future medicinal chemistry studies. (C) 2009 Elsevier Ltd. All rights reserved.