4-(3-(溴甲基)苯基)吗啉 | 1314884-51-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 中文名称: 4-(3-(溴甲基)苯基)吗啉
• 英文名称: 4-(3-(bromomethyl)phenyl)morpholine
• 英文别名: 4-(3-(Bromomethyl)phenyl)morpholine；4-[3-(bromomethyl)phenyl]morpholine
• CAS: 1314884-51-9
• 化学式: C₁₁H₁₄BrNO
• 分子量: 256.142
• InChiKey: HLAQSTCAEQGBFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(3-(溴甲基)苯基)吗啉 在 盐酸 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 1.5h， 生成 2-(3,4-Dihydroxyphenyl)-6-[(3-morpholin-4-ylphenyl)methylsulfanyl]-4-oxo-2,3-dihydro-1,3-thiazine-5-carbonitrile
  参考文献：
  名称：

  Structure–Activity Analysis and Cell-Based Optimization of Human Galactokinase Inhibitors

  摘要：

  Classic galactosemia is a rare human disease associated with the accumulation of a toxic level of galactose-1-phosphate (gal-1P) caused by the inherited deficiency of galactose-1-phosphate uridyltransferase (GALT) activity. To reduce the toxic level of gal-1P in patients, we have identified, via high-throughput screening, over 200 small molecule GALK inhibitors. We selected a 4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile scaffold for further structure-activity relationships characterization, lead optimization with regards to potency, and efficacy to reduce gal-1P accumulation in patient cells.

  DOI：

  10.1021/ml200131j
• 作为产物：
  描述：

  3-(4-吗啉基)苯甲醇 在 N-溴代丁二酰亚胺(NBS) 、 二甲基硫 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 4-(3-(溴甲基)苯基)吗啉
  参考文献：
  名称：

  Structure–Activity Analysis and Cell-Based Optimization of Human Galactokinase Inhibitors

  摘要：

  Classic galactosemia is a rare human disease associated with the accumulation of a toxic level of galactose-1-phosphate (gal-1P) caused by the inherited deficiency of galactose-1-phosphate uridyltransferase (GALT) activity. To reduce the toxic level of gal-1P in patients, we have identified, via high-throughput screening, over 200 small molecule GALK inhibitors. We selected a 4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile scaffold for further structure-activity relationships characterization, lead optimization with regards to potency, and efficacy to reduce gal-1P accumulation in patient cells.

  DOI：

  10.1021/ml200131j

文献信息

• HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME
  申请人：MILLENNIUM PHARMACEUTICALS, INC.

  公开号：US20160355504A1

  公开（公告）日：2016-12-08

  Disclosed are compounds of formula (I); or a pharmaceutically acceptable salt thereof; wherein Y, Ra, Ra′, Rc, Rf, X2, Rd, Rd′, Re, Re′2, m, and G have the values described herein and stereochemical configurations depicted at asterisked positions indicate absolute stereochemistry, useful as inhibitors of Sumo Activating Enzyme (SAE). Further provided are pharmaceutical compositions comprising a compound of the disclosure and methods of using the compositions in the treatment of proliferative, inflammatory, cardiovascular and neurodegenerative diseases or disorders.
• US9695154B2
  申请人：——

  公开号：US9695154B2

  公开（公告）日：2017-07-04