(2-methoxyethyl)(methyl)sulfamoyl chloride | 355849-72-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2-methoxyethyl)(methyl)sulfamoyl chloride
• 英文别名: N-(2-methoxyethyl)-N-methylsulfamoyl chloride
• CAS: 355849-72-8
• 化学式: C₄H₁₀ClNO₃S
• mdl: MFCD14664418
• 分子量: 187.647
• InChiKey: WQEWZLQWJAZGAW-UHFFFAOYSA-N

物化性质

• 沸点：
  250.8±23.0 °C(Predicted)
• 密度：
  1.334±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2-methoxyethyl)(methyl)sulfamoyl chloride 、 N-[(1S)-1-(3-aminophenyl)-2-(pyrrolidin-1-yl)ethyl]-2-(3,4-dichlorophenyl)-N-methylacetamide 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 17.0h， 以59%的产率得到(S)-2-(3,4-dichlorophenyl)-N-(1-(3-((N-(2-methoxyethyl)-N-methylsulfamoyl)amino)phenyl)-2-(pyrrolidin-1-yl)ethyl)-N-methylacetamide
  参考文献：
  名称：

  [EN] N-METHYL-N-(1-PHENYL-2-(1-PYRROLIDINYL)ETHYL)-2-AMINOPHENYLACETAMIDE DERIVATIVES AGONISTS FOR THE KAPPA OPIOID RECEPTOR
  [FR] AGONISTES DE DÉRIVÉS N-MÉTHYL-N-(1-PHÉNYL-2-(1-PYRROLIDINYL)ÉTHYL)-2-AMINOPHÉNYLACÉTAMIDE POUR LE RÉCEPTEUR OPIOÏDE KAPPA

  摘要：

  描述了化合物及其药用可接受的盐和溶剂化合物。这些化合物与药物发现、药物治疗、生理学和有机化学等领域相关并/或具有应用。

  公开号：

  WO2016106133A1

文献信息

• Synthesis and structure–activity relationships of dual PI3K/mTOR inhibitors based on a 4-amino-6-methyl-1,3,5-triazine sulfonamide scaffold
  作者：Ryan P. Wurz、Longbin Liu、Kevin Yang、Nobuko Nishimura、Yunxin Bo、Liping H. Pettus、Sean Caenepeel、Daniel J. Freeman、John D. McCarter、Erin L. Mullady、Tisha San Miguel、Ling Wang、Nancy Zhang、Kristin L. Andrews、Douglas A. Whittington、Jian Jiang、Raju Subramanian、Paul E. Hughes、Mark H. Norman

  DOI：10.1016/j.bmcl.2012.06.078

  日期：2012.9

  Phosphoinositide 3-kinase (PI3K) is an important target in oncology due to the deregulation of the PI3K/Akt signaling pathway in a wide variety of tumors. A series of 4-amino-6-methyl-1,3,5-triazine sulfonamides were synthesized and evaluated as inhibitors of PI3K. The synthesis, in vitro biological activities, pharmacokinetic and in vivo pharmacodynamic profiling of these compounds are described. The most promising compound from this investigation (compound 3j) was found to be a pan class I PI3K inhibitor with a moderate (>10-fold) selectivity over the mammalian target of rapamycin (mTOR) in the enzyme assay. In a U87 MG cellular assay measuring phosphorylation of Akt, compound 3j displayed low double digit nanomolar IC50 and exhibited good oral bioavailability in rats (F-oral = 63%). Compound 3j also showed a dose dependent reduction in the phosphorylation of Akt in a U87 tumor pharmacodynamic model with a plasma EC50 = 193 nM (91 ng/mL). (C) 2012 Elsevier Ltd. All rights reserved.
• [EN] N-METHYL-N-(1-PHENYL-2-(1-PYRROLIDINYL)ETHYL)-2-AMINOPHENYLACETAMIDE DERIVATIVES AGONISTS FOR THE KAPPA OPIOID RECEPTOR<br/>[FR] AGONISTES DE DÉRIVÉS N-MÉTHYL-N-(1-PHÉNYL-2-(1-PYRROLIDINYL)ÉTHYL)-2-AMINOPHÉNYLACÉTAMIDE POUR LE RÉCEPTEUR OPIOÏDE KAPPA
  申请人：NEKTAR THERAPEUTICS

  公开号：WO2016106133A1

  公开（公告）日：2016-06-30

  Compounds and pharmaceutically acceptable salts and solvates thereof are described. The compounds relate to and/or have application(s) in (among others) the fields of drug discovery, pharmacotherapy, physiology and organic chemistry.

  描述了化合物及其药用可接受的盐和溶剂化合物。这些化合物与药物发现、药物治疗、生理学和有机化学等领域相关并/或具有应用。