N-methylpropane-2-sulfonylamide | 25855-59-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: N-methylpropane-2-sulfonylamide
• 英文别名: N,1-dimethylethanesulfonamide；N-methylpropane-2-sulfonamide
• CAS: 25855-59-8
• 化学式: C₄H₁₁NO₂S
• mdl: MFCD12799059
• 分子量: 137.203
• InChiKey: SLZVNMYAQGDTPL-UHFFFAOYSA-N

物化性质

• 沸点：
  193.5±23.0 °C(Predicted)
• 密度：
  1.099±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• 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：

  2,6-二氯异烟酸甲酯 、 N-methylpropane-2-sulfonylamide 在 tris-(dibenzylideneacetone)dipalladium(0) potassium phosphate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 1,4-二氧六环 为溶剂， 反应 16.0h， 以50%的产率得到methyl 2-chloro-6-[(isopropylsulfonyl)(methyl)amino]isonicotinate
  参考文献：
  名称：

  Discovery of Isonicotinamide Derived β-Secretase Inhibitors:  In Vivo Reduction of β-Amyloid

  摘要：

  beta-Secretase inhibition offers an exciting opportunity for therapeutic intervention in the progression of Alzheimer's disease. A series of isonicotinamides derived from traditional aspartyl protease transition state isostere inhibitors has been optimized to yield low nanomolar inhibitors with sufficient penetration across the blood-brain barrier to demonstrate beta-amyloid lowering in a murine model.

  DOI：

  10.1021/jm070272d
• 作为产物：
  描述：

  异丙基磺酰氯 在 甲胺 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 N-methylpropane-2-sulfonylamide
  参考文献：
  名称：

  Certain N-(R-sulfonyl) phosphonamidothioates and dithioates

  摘要：

  式##STR1##的化合物，其中符号具有指定的含义，并且它们作为杀虫剂和/或杀螨剂的用途。

  公开号：

  US04804654A1

文献信息

• Discovery and SAR of isonicotinamide BACE-1 inhibitors that bind β-secretase in a N-terminal 10s-loop down conformation
  作者：Shaun R. Stauffer、Matthew G. Stanton、Alison R. Gregro、Melissa A. Steinbeiser、Jennifer R. Shaffer、Philippe G. Nantermet、James C. Barrow、Kenneth E. Rittle、Dennis Collusi、Amy S. Espeseth、Ming-Tain Lai、Beth L. Pietrak、M. Katharine Holloway、Georgia B. McGaughey、Sanjeev K. Munshi、Jerome H. Hochman、Adam J. Simon、Harold G. Selnick、Samuel L. Graham、Joseph P. Vacca

  DOI：10.1016/j.bmcl.2006.12.051

  日期：2007.3

  A series of low-molecular weight 2,6-diamino-isonicotinamide BACE-I inhibitors containing an amine transition-state isostere were synthesized and shown to be highly potent in both enzymatic and cell-based assays. These inhibitors contain a trans-S,S-methyl cyclopropane P-3 which bind BACE-1 in a 10s-loop down conformation giving rise to highly potent compounds with favorable molecular weight and moderate to high susceptibility to P-glycoprotein (P-gp) efflux. (c) 2007 Elsevier Ltd. All rights reserved.
• Design and synthesis of 4th generation EGFR inhibitors against human triple (Del19/T790M/C797S) mutation
  作者：Jiyoung Jeon、Sun Young Jang、Eun Joo Kwak、Sun Hoe Lee、Joo-Yun Byun、Yu-Yon Kim、Young Gil Ahn、Pargat Singh、Kyeongwon Moon、In Su Kim

  DOI：10.1016/j.ejmech.2023.115840

  日期：2023.12
• Discovery of Isonicotinamide Derived β-Secretase Inhibitors:  In Vivo Reduction of β-Amyloid
  作者：Matthew G. Stanton、Shaun R. Stauffer、Alison R. Gregro、Melissa Steinbeiser、Philippe Nantermet、Sethu Sankaranarayanan、Eric A. Price、Guoxin Wu、Ming-Chih Crouthamel、Joan Ellis、Ming-Tain Lai、Amy S. Espeseth、Xiao-Ping Shi、Lixia Jin、Dennis Colussi、Beth Pietrak、Qian Huang、Min Xu、Adam J. Simon、Samuel L. Graham、Joseph P. Vacca、Harold Selnick

  DOI：10.1021/jm070272d

  日期：2007.7.1

  beta-Secretase inhibition offers an exciting opportunity for therapeutic intervention in the progression of Alzheimer's disease. A series of isonicotinamides derived from traditional aspartyl protease transition state isostere inhibitors has been optimized to yield low nanomolar inhibitors with sufficient penetration across the blood-brain barrier to demonstrate beta-amyloid lowering in a murine model.
• Certain N-(R-sulfonyl) phosphonamidothioates and dithioates
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US04804654A1

  公开（公告）日：1989-02-14

  Compounds of the formula ##STR1## wherein the symbols have assigned meanings, and their use as insecticides and/or miticides.

  式##STR1##的化合物，其中符号具有指定的含义，并且它们作为杀虫剂和/或杀螨剂的用途。