thiomorpholine-4-sulfonamide 1,1-dioxide | 4157-99-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻嗪类
• 英文名称: thiomorpholine-4-sulfonamide 1,1-dioxide
• 英文别名: 4-Sulfamoyl-thiomorpholin-1,1-dioxid；1,1-dioxo-1λ⁶-thiomorpholine-4-sulfonic acid amide；1,1-Dioxothiomorpholine-4-sulfonamide；1,1-dioxo-1,4-thiazinane-4-sulfonamide
• CAS: 4157-99-7
• 化学式: C₄H₁₀N₂O₄S₂
• 分子量: 214.266
• InChiKey: NHJFHAQBMGFFPV-UHFFFAOYSA-N

物化性质

• 熔点：
  201.0-202.5 °C
• 沸点：
  517.1±60.0 °C(Predicted)
• 密度：
  1.68±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  二硫化碳 、 thiomorpholine-4-sulfonamide 1,1-dioxide 在 氢氧化钾 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  Novel 3,4-diarylpyrazolines as potent cannabinoid CB1 receptor antagonists with lower lipophilicity

  摘要：

  Novel 3,4-diarylpyrazolines 1 as potent CB1 receptor antagonists with lipophilicity lower than that of SLV319 are described. The key change is the replacement of the arylsulfonyl group in the original series by a dialkylaminosulfonyl moiety. The absolute configuration (4S) of eutomer 24 was established by X-ray diffraction analysis and 24 showed a close molecular fit with rimonabant in a CB1 receptor-based model. Compound 17 exhibited the highest CB1 receptor affinity (K-i = 24 nM) in this series, as well as very potent CB1 antagonistic activity (pA(2) = 8.8) and a high CB1/CB2 subtype selectivity (similar to 147-fold). (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.07.054
• 作为产物：
  描述：

  benzyl ((1,1-dioxidothiomorpholino)sulfonyl)carbamate 在 palladium 10% on activated carbon 、 氢气 作用下， 以 2-甲基四氢呋喃 、 乙醇 为溶剂， 反应 3.5h， 生成 thiomorpholine-4-sulfonamide 1,1-dioxide
  参考文献：
  名称：

  SULFINYLAMINOBENZAMIDE AND SULFONYLAMINOBENZAMIDE DERIVATIVES

  摘要：

  提供的是一个化合物的化学式（I）：其中变量基团在此处定义。

  公开号：

  US20190359565A1

文献信息

• Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators
  申请人：Cheshire David Ranulf

  公开号：US20080096860A1

  公开（公告）日：2008-04-24

  A compound of formula (1), or a pharmaceutically acceptable salt, solvate or in vivo hydrolysable ester thereof and pharmaceutical compositions comprising these, all for use in the treatment of chemokine mediated diseases and disorders.

  公式（1）的化合物，或其药学上可接受的盐，溶剂或体内可水解的酯，以及包含这些化合物的制药组合物，均可用于治疗趋化因子介导的疾病和障碍。
• Pyrimidine sulphonamide derivatives as chemokine receptor modulators
  申请人：AstraZeneca AB

  公开号：US08269002B2

  公开（公告）日：2012-09-18

  A compound of formula (I), or a pharmaceutically acceptable salt, solvate or in vivo hydrolysable ester thereof and pharmaceutical compositions comprising these, all for use in the treatment of chemokine mediated diseases and disorders.

  化合物(I)的公式，或其药学上可接受的盐、溶剂或体内可水解酯，以及包括这些化合物的制药组合物，均用于治疗趋化因子介导的疾病和紊乱。
• Sulfamylurea Hypoglycemic Agents. I. Synthesis and Screening
  作者：J. M. McManus、J. W. McFarland、C. F. Gerber、W. M. McLamore、G. D. Laubach

  DOI：10.1021/jm00330a009

  日期：1965.11
• SULFINYLAMINOBENZAMIDE AND SULFONYLAMINOBENZAMIDE DERIVATIVES
  申请人：Gilead Sciences, Inc.

  公开号：US20190359565A1

  公开（公告）日：2019-11-28

  Provided is a compound of Formula (I): wherein the variable groups are defined herein.

  提供的是一个化合物的化学式（I）：其中变量基团在此处定义。
• Novel 3,4-diarylpyrazolines as potent cannabinoid CB1 receptor antagonists with lower lipophilicity
  作者：Jos H.M. Lange、Herman H. van Stuivenberg、Willem Veerman、Henri C. Wals、Bob Stork、Hein K.A.C. Coolen、Andrew C. McCreary、Tiny J.P. Adolfs、Chris G. Kruse

  DOI：10.1016/j.bmcl.2005.07.054

  日期：2005.11

  Novel 3,4-diarylpyrazolines 1 as potent CB1 receptor antagonists with lipophilicity lower than that of SLV319 are described. The key change is the replacement of the arylsulfonyl group in the original series by a dialkylaminosulfonyl moiety. The absolute configuration (4S) of eutomer 24 was established by X-ray diffraction analysis and 24 showed a close molecular fit with rimonabant in a CB1 receptor-based model. Compound 17 exhibited the highest CB1 receptor affinity (K-i = 24 nM) in this series, as well as very potent CB1 antagonistic activity (pA(2) = 8.8) and a high CB1/CB2 subtype selectivity (similar to 147-fold). (c) 2005 Elsevier Ltd. All rights reserved.