4-(4-硝基苯基)硫代吗啉1,1-二氧化物 | 329943-64-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻嗪类
• 中文名称: 4-(4-硝基苯基)硫代吗啉1,1-二氧化物
• 英文名称: 4-(4-nitrophenyl)thiomorpholine 1,1-dioxide
• 英文别名: 4-(4-nitrophenyl)-1,4-thiazinane 1,1-dioxide
• CAS: 329943-64-8
• 化学式: C₁₀H₁₂N₂O₄S
• 分子量: 256.282
• InChiKey: WRUOROFTYVWDOL-UHFFFAOYSA-N

物化性质

• 沸点：
  539.8±45.0 °C(Predicted)
• 密度：
  1.422±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  91.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(4-硝基苯基)硫代吗啉1,1-二氧化物 在 palladium on activated charcoal 、 potassium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-[4-(ethylsulfonyl)-1-piperazin-1-yl]phenylamine
  参考文献：
  名称：

  [EN] COMPOUNDS AND THEIR USES AS SPLEEN TYROSINE KINASE INHIBITORS
  [FR] COMPOSÉS ET LEURS UTILISATIONS EN TANT QU'INHIBITEURS DE LA TYROSINE KINASE DE LA RATE

  摘要：

  提供了式（I）的化合物，可用作Syk抑制剂，并且在通过Syk介导的疾病中作为治疗剂具有强大的作用。

  公开号：

  WO2021244430A1
• 作为产物：
  描述：

  4-(p-nitrophenyl)-tetrahydro-4H-1,4-thiazine 在 间氯过氧苯甲酸 作用下， 以 氯仿 为溶剂， 以87%的产率得到4-(4-硝基苯基)硫代吗啉1,1-二氧化物
  参考文献：
  名称：

  [EN] 2, 4 -DIAMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS
  [FR] DÉRIVÉS DE 2,4-DIAMINOPYRIMIDINE EN TANT QU'INHIBITEURS DE PROTÉINE KINASES

  摘要：

  本发明涉及一种新型的式（I）的嘧啶衍生物，其作为激酶抑制剂具有用途。更具体地，本发明涉及新型嘧啶化合物、其制备方法、含有这些化合物的药物组合物以及这些化合物在治疗增殖性疾病中的用途。

  公开号：

  WO2012059932A1

文献信息

• 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS
  申请人：Downham Robert

  公开号：US20100056511A1

  公开（公告）日：2010-03-04

  The invention provides compounds of formula (I), and pharmaceutically acceptable salts thereof wherein: R1, R2, R3, R4, R5, R6, R7, X and X 1 are as defined herein. These compounds are useful in the manufacture of medicaments for use in the prevention or treatment of a fungal disease. Compounds of formula (I), and agriculturally acceptable salts thereof, may also be used as agricultural fungicides.

  该发明提供了公式（I）的化合物及其药学上可接受的盐，其中：R1，R2，R3，R4，R5，R6，R7，X和X1如本文所定义。这些化合物在制造用于预防或治疗真菌病的药物方面是有用的。公式（I）的化合物及其农业上可接受的盐也可用作农业杀真菌剂。
• ANTIFUNGAL COMBINATION THERAPY
  申请人：Birch Michael

  公开号：US20110183969A1

  公开（公告）日：2011-07-28

  The invention provides pharmaceutical combinations comprising a combination of an antifungal indolizine compound of formula (I) or a pharmaceutically acceptable salt thereof and a second antifungal agent: wherein: R1, R2, R3, R4, R5, R6, R7, X and X 1 are as defined herein. The invention also provides pharmaceutical compositions comprising an antifungal indolizine compound of formula (I) or a pharmaceutically acceptable salt thereof, a second antifungal agent and a pharmaceutically acceptable diluent or carrier. The combinations and compositions are useful in the prevention or treatment of a fungal disease. A combination of an indolizine compound of formula (I) or agriculturally acceptable salts thereof and a second antifungal agent may also be used as an agricultural fungicide.

  本发明提供了药物组合物，包括式(I)的抗真菌吲哚啉化合物或其药学上可接受的盐和第二种抗真菌剂的组合：其中：R1，R2，R3，R4，R5，R6，R7，X和X1如本文所定义。本发明还提供了药物组合物，包括式(I)的抗真菌吲哚啉化合物或其药学上可接受的盐、第二种抗真菌剂和药学上可接受的稀释剂或载体。该组合物和组合物在预防或治疗真菌病方面是有用的。式(I)的吲哚啉化合物或其农业上可接受的盐和第二种抗真菌剂的组合也可用作农业杀菌剂。
• 2-[(2-substituted)-indolizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents
  申请人：Downham Robert

  公开号：US08604029B2

  公开（公告）日：2013-12-10

  The invention provides compounds of formula (I), and pharmaceutically acceptable salts thereof wherein: R1, R2, R3, R4, R5, R6, R7, X and X1 are as defined herein. These compounds are useful in the manufacture of medicaments for use in the prevention or treatment of a fungal disease. Compounds of formula (I), and agriculturally acceptable salts thereof, may also be used as agricultural fungicides.

  本发明提供了以下式子(I)的化合物及其药学上可接受的盐，其中：R1、R2、R3、R4、R5、R6、R7、X和X1的定义如本文所述。这些化合物可用于制造用于预防或治疗真菌病的药物。式(I)的化合物及其农业上可接受的盐也可用作农业杀菌剂。
• WO2008/62182
  申请人：——

  公开号：——

  公开（公告）日：——
• Synthesis and Structure–Activity Relationships of Arylsulfonamides as AIMP2-DX2 Inhibitors for the Development of a Novel Anticancer Therapy
  作者：Aneesh Sivaraman、Dae Gyu Kim、Deepak Bhattarai、Minkyoung Kim、Hwa Young Lee、Semi Lim、Jiwon Kong、Ja-il Goo、Seunghwan Shim、Seungbeom Lee、Young-Ger Suh、Yongseok Choi、Sunghoon Kim、Kyeong Lee

  DOI：10.1021/acs.jmedchem.9b01961

  日期：2020.5.28

  AIMP2-DX2, a splicing variant of AIMP2, is up-regulated in lung cancer, possesses oncogenic activity, and results in tumorigenesis. Specifically inhibiting the interaction between AIMP2-DX2 and HSP70 to suppress AIMP2-DX2-dependent cancers with small molecules is considered a promising avenue for cancer therapeutics. Optimization of hit BC-DXI-04 (IC50 = 40.1 mu M) provided new potent sulfonamide based AIMP2-DX2 inhibitors. Among these, BC-DXI-843 showed improved inhibition against AIMP2-DX2 (IC50 = 0.92 mu M) with more than 100-fold selectivity over AIMP2 in a luciferase assay. Several binding assays indicated that this compound effectively induces cancer cell apoptosis by specifically interrupting the interaction between DX2 and HSP70, which leads to the degradation of DX2 via Siah1-mediated ubiquitination. More importantly, BC-DXI-843 demonstrated in vivo efficacy in a tumor xenograft mouse model (H460 cells) at a dosage of 50 mg/kg, suggesting it as a promising lead for development of novel therapeutics targeting AIMP2-DX2 in lung cancer.