3-硫杂环丁酮1,1-二氧化物 | 1599-23-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 磺酰类
• 中文名称: 3-硫杂环丁酮1,1-二氧化物
• 英文名称: thietan-3-one 1,1-dioxide
• 英文别名: 1,1-dioxothietan-3-one
• CAS: 1599-23-1
• 化学式: C₃H₄O₃S
• mdl: MFCD18325168
• 分子量: 120.129
• InChiKey: AYVTTWZAVAGWEX-UHFFFAOYSA-N

物化性质

• 熔点：
  210-221 °C (decomp)
• 沸点：
  417.5±38.0 °C(Predicted)
• 密度：
  1.622±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.666
• 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-硫杂环丁酮1,1-二氧化物 、 肼基甲酸叔丁酯 在 sodium tetrahydroborate 、 乙醇 、 水 作用下， 以 甲苯 、 乙醇 为溶剂， 反应 40.0h， 以79%的产率得到N'-(1,1-dioxo-1-λ6-thietan-3-yl)-hydrazinecarboxylic acid tert-butyl ester
  参考文献：
  名称：

  Compounds Useful In Therapy

  摘要：

  化合物的化学式（I）： 以及所述化合物及其盐、溶剂化合物（包括水合物）和盐、或所述化合物的前药，或所述前药的药学上可接受的盐或溶剂化合物，其中取代基如本文所定义，可用于治疗，例如它们可能对治疗孕激素介导的疾病如子宫内膜异位症、子宫肌瘤（平滑肌瘤）、月经过多、子宫腺肌病、原发性和继发性痛经（包括性交疼痛、排便疼痛和慢性盆腔疼痛症状）或慢性盆腔疼痛综合症等方面具有用处。

  公开号：

  US20080096950A1

文献信息

• Synthesis of 6-Azaspiro[4.3]alkanes: Innovative Scaffolds for Drug Discovery
  作者：Bohdan A. Chalyk、Andrei A. Isakov、Maryna V. Butko、Kateryna V. Hrebeniuk、Olena V. Savych、Olexandr V. Kucher、Konstantin S. Gavrilenko、Tetiana V. Druzhenko、Vladimir S. Yarmolchuk、Sergey Zozulya、Pavel K. Mykhailiuk

  DOI：10.1002/ejoc.201700536

  日期：2017.8.24

  New scaffolds for drug discovery, 6-azaspiro[4.3]alkanes, have been synthesized in two steps from four-membered-ring ketones: cyclobutanone, thienone, N-Boc-azetidinone (Boc = tert-butoxycarbonyl), etc. The key transformation was the reaction between electron-deficient exocyclic alkenes and an in-situ generated N-benzylazomethine ylide.

  用于药物发现的新支架，6-氮杂螺[4.3]烷烃，由四元环酮分两步合成：环丁酮、噻吩酮、N-Boc-氮杂环丁酮（Boc = 叔丁氧基羰基）等。 关键转化是缺电子环外烯烃与原位生成的 N-苄基偶氮甲碱叶立德之间的反应。
• THERAPEUTIC COMPOUNDS
  申请人：Gilead Sciences, Inc.

  公开号：US20180118734A1

  公开（公告）日：2018-05-03

  Compounds disclosed herein including compounds of Formula I: and salts thereof are provided. Pharmaceutical compositions comprising compounds disclosed herein, processes for preparing compounds disclosed herein, intermediates useful for preparing compounds disclosed herein and therapeutic methods for treating an HIV infection using compounds disclosed herein are also provided.

  本文披露的化合物包括式I的化合物及其盐。还提供了包括本文披露的化合物的药物组合物，用于制备本文披露的化合物的方法，用于制备本文披露的化合物的有用中间体，以及使用本文披露的化合物治疗HIV感染的治疗方法。
• [EN] SUBSTITUTED DIHYDROIMIDAZOPYRIDINEDIONES AS MKNK1 AND MKNK2 INHIBITORS<br/>[FR] DIHYDROIMIDAZOPYRIDINEDIONES SUBSTITUÉES UTILISÉES EN TANT QU'INHIBITEURS DE MKNK1 ET DE MKNK2
  申请人：BAYER PHARMA AG

  公开号：WO2018134148A1

  公开（公告）日：2018-07-26

  The present invention relates to substituted dihydroimidazopyridinedione compounds of general formula (A) as described and defined herein, to methods of preparing said compounds, to intermediate compounds useful for preparing said compounds, to pharmaceutical compositions and combinations comprising said compounds and to the use of said compounds for manufacturing a pharmaceutical composition for the treatment or prophylaxis of a disease, in particular of a hyperproliferative, angiogenesis disorders, inflammatory diseases or diseases associated with inflammatory pain, as a sole agent or in combination with other active ingredients.

  本发明涉及通式（A）所描述和定义的取代二氢咪唑吡啶二酮化合物，以及制备该化合物的方法，用于制备该化合物的有用中间体化合物，包含该化合物的药物组合物和复合物，以及利用该化合物制造用于治疗或预防疾病的药物组合物，特别是治疗过度增殖、血管生成障碍、炎症性疾病或与炎症性疼痛相关的疾病的药物组合物，作为单一药剂或与其他活性成分结合使用。
• Novel JAK Inhibitors to Reduce Graft-Versus-Host Disease after Allogeneic Hematopoietic Cell Transplantation in a Preclinical Mouse Model
  作者：Sena Kim、Peter Ruminski、Megh Singh、Karl Staser、Kidist Ashami、Julie Ritchey、Sora Lim、John F. DiPersio、Jaebok Choi

  DOI：10.3390/molecules29081801

  日期：——

  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.
• Compounds Useful In Therapy
  申请人：Gibson Karl Richard

  公开号：US20080096950A1

  公开（公告）日：2008-04-24

  Compounds of Formula (I): and pharmaceutically acceptable salts, solvates (including hydrates) of said compounds and salts, or prodrugs of said compound, or pharmaceutically acceptable salts or solvates of said prodrugs, wherein the substituents are as herein defined, are useful in therapy, for example they may be useful for treating progesterone-mediated conditions such as endometriosis, uterine fibroids (leiomyomata), menorrhagia, adenomyosis, primary and secondary dysmenorrhoea (including symptoms of dyspareunia, dyschexia and chronic pelvic pain), or chronic pelvic pain syndrome.

  化合物的化学式（I）： 以及所述化合物及其盐、溶剂化合物（包括水合物）和盐、或所述化合物的前药，或所述前药的药学上可接受的盐或溶剂化合物，其中取代基如本文所定义，可用于治疗，例如它们可能对治疗孕激素介导的疾病如子宫内膜异位症、子宫肌瘤（平滑肌瘤）、月经过多、子宫腺肌病、原发性和继发性痛经（包括性交疼痛、排便疼痛和慢性盆腔疼痛症状）或慢性盆腔疼痛综合症等方面具有用处。