3-methanesulfonylcyclobutan-1-one | 2089257-73-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-methanesulfonylcyclobutan-1-one
• 英文别名: 3-methylsulfonylcyclobutan-1-one
• CAS: 2089257-73-6
• 化学式: C₅H₈O₃S
• 分子量: 148.183
• InChiKey: MCHUSBOFAJSPDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  59.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-methanesulfonylcyclobutan-1-one 在 sodium hydride 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 0.75h， 生成
  参考文献：
  名称：

  Novel JAK Inhibitors to Reduce Graft-Versus-Host Disease after Allogeneic Hematopoietic Cell Transplantation in a Preclinical Mouse Model

  摘要：

  Allogeneic hematopoietic cell transplantation (allo-HCT) is a highly effective, well-established treatment for patients with various hematologic malignancies and non-malignant diseases. The therapeutic benefits of allo-HCT are mediated by alloreactive T cells in donor grafts. However, there is a significant risk of graft-versus-host disease (GvHD), in which the donor T cells recognize recipient cells as foreign and attack healthy organs in addition to malignancies. We previously demonstrated that targeting JAK1/JAK2, mediators of interferon-gamma receptor (IFNGR) and IL-6 receptor signaling, in donor T cells using baricitinib and ruxolitinib results in a significant reduction in GvHD after allo-HCT. Furthermore, we showed that balanced inhibition of JAK1/JAK2 while sparing JAK3 is important for the optimal prevention of GvHD. Thus, we have generated novel JAK1/JAK2 inhibitors, termed WU derivatives, by modifying baricitinib. Our results show that WU derivatives have the potential to mitigate GvHD by upregulating regulatory T cells and immune reconstitution while reducing the frequencies of antigen-presenting cells (APCs) and CD80 expression on these APCs in our preclinical mouse model of allo-HCT. In addition, WU derivatives effectively downregulated CXCR3 and T-bet in primary murine T cells. In summary, we have generated novel JAK inhibitors that could serve as alternatives to baricitinib or ruxolitinib.

  DOI：

  10.3390/molecules29081801
• 作为产物：
  描述：

  3-甲磺酰基环丁烷-1-醇 在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 生成 3-methanesulfonylcyclobutan-1-one
  参考文献：
  名称：

  [EN] CCR4 SMALL MOLECULE ANTAGONIST AND USE THEREOF
  [FR] PETITE MOLÉCULE ANTAGONISTE DU CCR4 ET SON UTILISATION
  [ZH] 一种CCR4小分子拮抗剂及其用途

  摘要：

  本发明涉及一种CCR4小分子拮抗剂及其用途。具体地，本发明涉及式(I)化合物或其同位素标记化合物、或其光学异构体、几何异构体、互变异构体或异构体混合物、或其药学上可接受的盐、或其前体药、或其代谢物，以及其在制备用于治疗或预防由CCR4介导的疾病或病症的药物中的用途。

  公开号：

  WO2023143194A1

文献信息

• [EN] GCN2 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE GCN2 ET LEURS UTILISATIONS
  申请人：MERCK PATENT GMBH

  公开号：WO2019148136A1

  公开（公告）日：2019-08-01

  The present invention provides compounds, compositions thereof, and methods of using the same. Compounds of this invention, and pharmaceutically acceptable compositions thereof, are effective as inhibitors of GCN2 kinase.

  本发明提供了化合物、其组合物以及使用方法。本发明的化合物及其药学上可接受的组合物作为GCN2激酶的抑制剂是有效的。