{4-[2-Benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopropyl]phenyl}sulfamic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: {4-[2-Benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopropyl]phenyl}sulfamic acid
• 英文别名: [4-(2-benzyl-3-methoxy-2-methoxycarbonyl-3-oxopropyl)phenyl]sulfamic acid
• 化学式: C₁₉H₂₁NO₇S
• 分子量: 407.444
• InChiKey: SUACYXRSGYYBGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  28
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  127
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  对硝基苄基丙二酸二甲酯 在 palladium on activated charcoal 吡啶 、 氢气 、 三氧化硫吡啶 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 {4-[2-Benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopropyl]phenyl}sulfamic acid
  参考文献：
  名称：

  Design and synthesis of potent, non-peptidic inhibitors of HPTPβ

  摘要：

  The sulfamic acid phosphotyrosine mimetic was coupled with a previously known malonate template to obtain highly selective and potent inhibitors of HPTPbeta. Potentially hydrolyzable malonate ester functionalities were replaced with 1,2,4-oxadiazoles without a significant effect on HPTPbeta potency.

  DOI：

  10.1016/j.bmcl.2006.05.074

文献信息

• IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS
  申请人：CAMP4 THERAPEUTICS CORPORATION

  公开号：US20210254056A1

  公开（公告）日：2021-08-19

  The present invention provides methods and compositions for the evaluation, alteration and/or optimization of gene signaling. Methods and systems are also provided which exploit the information generated in the identification of new targets and non-canonical signaling pathways.
• Design and synthesis of potent, non-peptidic inhibitors of HPTPβ
  作者：Kande K.D. Amarasinghe、Artem G. Evidokimov、Kevin Xu、Cynthia M. Clark、Matthew B. Maier、Anil Srivastava、Anny-Odile Colson、Gina S. Gerwe、George E. Stake、Brian W. Howard、Matthew E. Pokross、Jeffrey L. Gray、Kevin G. Peters

  DOI：10.1016/j.bmcl.2006.05.074

  日期：2006.8

  The sulfamic acid phosphotyrosine mimetic was coupled with a previously known malonate template to obtain highly selective and potent inhibitors of HPTPbeta. Potentially hydrolyzable malonate ester functionalities were replaced with 1,2,4-oxadiazoles without a significant effect on HPTPbeta potency.