{4-[2,2-Bis-(5-methyl-[1,2,4]oxadiazol-3-yl)-3-phenyl-propyl]-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-[2,2-Bis-(5-methyl-[1,2,4]oxadiazol-3-yl)-3-phenyl-propyl]-phenyl}-sulfamic acid
• 英文别名: {4-[2,2-Bis(5-methyl-1,2,4-oxadiazol-3-YL)-3-phenylpropyl]phenyl}sulfamic acid；[4-[2,2-bis(5-methyl-1,2,4-oxadiazol-3-yl)-3-phenylpropyl]phenyl]sulfamic acid
• 化学式: C₂₁H₂₁N₅O₅S
• 分子量: 455.494
• InChiKey: SXDBFKLPNPUPRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  153
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2-benzyl-2-(4-nitrophenyl)malononitrile 在 吡啶 、 羟胺 、 三氧化硫吡啶 、 溶剂黄146 、 tin(ll) chloride 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 2.0h， 生成 {4-[2,2-Bis-(5-methyl-[1,2,4]oxadiazol-3-yl)-3-phenyl-propyl]-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.