2-甲硫基吗啉1,1-二氧化物 | 148761-51-7

• 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: 2-甲硫基吗啉1,1-二氧化物
• 英文名称: 2-methylthiomorpholine 1,1-dioxide
• 英文别名: 2-methyl-1,4-thiazinane 1,1-dioxide
• CAS: 148761-51-7
• 化学式: C₅H₁₁NO₂S
• mdl: MFCD19219021
• 分子量: 149.214
• InChiKey: SXESUMISQDGBIE-UHFFFAOYSA-N

物化性质

• 沸点：
  323.8±35.0 °C(Predicted)
• 密度：
  1.156±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  54.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-甲硫基吗啉1,1-二氧化物 、 1-(5,8-dichloroimidazo[1,5-a]pyridin-6-yl)ethan-1-one 在 二乙基异丙基胺 作用下， 以 乙腈 为溶剂， 反应 5.0h， 以94%的产率得到1-(8-chloro-5-(2-methyl-1,1-dioxidothiomorpholino)imidazo[1,5-a]pyridin-6-yl)ethan-1-one
  参考文献：
  名称：

  HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS

  摘要：

  该申请涉及式(I)的化合物，或其药用盐或立体异构体，这些化合物是PI3K-γ的抑制剂，对于治疗自身免疫性疾病、癌症、心血管疾病和神经退行性疾病等疾病有用。

  公开号：

  US20170129899A1
• 作为产物：
  描述：

  3-methyl-2-oxo-1,4-thiazane 在 sodium tetrahydroborate 、 溶剂黄146 、 间氯过氧苯甲酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 6.0h， 生成 2-甲硫基吗啉1,1-二氧化物
  参考文献：
  名称：

  Conformational analysis of methylthiazanes: the problem of the methyl-carbon-nitrogen-methyl gauche interaction

  摘要：

  The position of conformational equilibria in 2- and 3-methyl-1,4-thiazanes and cis- and trans-2,3-dimethyl-1,4-thiazanes, their N-methyl derivatives, and several of the corresponding sulfoxides and sulfones have been measured. The DELTAG-degrees values for the methyl groups are generally in agreement with what one would expect on the basis of known conformational equilibria in methylthianes, methylpiperidines, and N-methylated homologs of the latter; however, the differences in DELTAG-degrees between the 2-methyl and N,2-dimethyl homologs are even larger than in the piperidine series. An explanation for these differences is based on MM3 force field calculations of molecular geometry. The sulfoxide and sulfone data throw light on SO/H and SO/Me syn-axial as well as SO/Me gauche interactions.

  DOI：

  10.1021/jo00067a023

文献信息

• 1,4-Thiazans. I. C-Alkyl Thiomorpholines
  作者：Bernard Idson、Paul E. Spoerri

  DOI：10.1021/ja01640a013

  日期：1954.6
• DIAZEPINO-THIENO-QUINOXALINE COMPOUNDS AND THEIR USE IN THERAPY
  申请人：[en]MATCHPOINT THERAPEUTICS INC.

  公开号：WO2024044731A1

  公开（公告）日：2024-02-29

  The invention provides diazepino-thieno-quinoxaline compounds, pharmaceutical compositions, their use for inhibiting MK2, and their use in the treatment of a disease or condition, such as an inflammatory disorder.
• HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS
  申请人：Incyte Corporation

  公开号：US20170129899A1

  公开（公告）日：2017-05-11

  This application relates to compounds of Formula (I): or pharmaceutically acceptable salts or stereoisomers thereof, which are inhibitors of PI3K-γ which are useful for the treatment of disorders such as autoimmune diseases, cancer, cardiovascular diseases, and neurodegenerative diseases.

  该申请涉及式(I)的化合物，或其药用盐或立体异构体，这些化合物是PI3K-γ的抑制剂，对于治疗自身免疫性疾病、癌症、心血管疾病和神经退行性疾病等疾病有用。
• Conformational analysis of methylthiazanes: the problem of the methyl-carbon-nitrogen-methyl gauche interaction
  作者：Maria Teresa Gallego、Ernesto Brunet、Jose Luis Garcia Ruano、Ernest L. Eliel

  DOI：10.1021/jo00067a023

  日期：1993.7

  The position of conformational equilibria in 2- and 3-methyl-1,4-thiazanes and cis- and trans-2,3-dimethyl-1,4-thiazanes, their N-methyl derivatives, and several of the corresponding sulfoxides and sulfones have been measured. The DELTAG-degrees values for the methyl groups are generally in agreement with what one would expect on the basis of known conformational equilibria in methylthianes, methylpiperidines, and N-methylated homologs of the latter; however, the differences in DELTAG-degrees between the 2-methyl and N,2-dimethyl homologs are even larger than in the piperidine series. An explanation for these differences is based on MM3 force field calculations of molecular geometry. The sulfoxide and sulfone data throw light on SO/H and SO/Me syn-axial as well as SO/Me gauche interactions.