4-tert-butyl 3-ethyl 5-(3-iodophenyl)isoxazole-3,4-dicarboxylate | 745079-23-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-tert-butyl 3-ethyl 5-(3-iodophenyl)isoxazole-3,4-dicarboxylate
• 英文别名: 4-O-tert-butyl 3-O-ethyl 5-(3-iodophenyl)-1,2-oxazole-3,4-dicarboxylate
• CAS: 745079-23-6
• 化学式: C₁₇H₁₈INO₅
• 分子量: 443.238
• InChiKey: YZLFEKMWXKVPJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  78.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-tert-butyl 3-ethyl 5-(3-iodophenyl)isoxazole-3,4-dicarboxylate 在 三乙胺 、 三氟乙酸 作用下， 生成
  参考文献：
  名称：

  Isoxazole carboxylic acids as protein tyrosine phosphatase 1B (PTP1B) inhibitors

  摘要：

  Guided by X-ray crystallography, we have extended the structure-activity relationship (SAR) study on an isoxazole carboxylic acid-based PTP1B inhibitor (1) and more potent and equally selective (>20-fold selectivity over the highly homologous T-cell PTPase, TCPTP) PTP1B inhibitors were identified. Inhibitor 7 demonstrated good cellular activity against PTP1B in COS 7 cells.

  DOI：

  10.1016/j.bmcl.2004.08.063
• 作为产物：
  描述：

  氯代肟基乙酸乙酯 、 tert-butyl 3-(3-iodophenyl)-3-oxopropanoate 在 三乙胺 作用下， 生成 4-tert-butyl 3-ethyl 5-(3-iodophenyl)isoxazole-3,4-dicarboxylate
  参考文献：
  名称：

  Isoxazole carboxylic acids as protein tyrosine phosphatase 1B (PTP1B) inhibitors

  摘要：

  Guided by X-ray crystallography, we have extended the structure-activity relationship (SAR) study on an isoxazole carboxylic acid-based PTP1B inhibitor (1) and more potent and equally selective (>20-fold selectivity over the highly homologous T-cell PTPase, TCPTP) PTP1B inhibitors were identified. Inhibitor 7 demonstrated good cellular activity against PTP1B in COS 7 cells.

  DOI：

  10.1016/j.bmcl.2004.08.063

文献信息

• Protein-tyrosine phosphatase inhibitors and uses thereof
  申请人：——

  公开号：US20040214870A1

  公开（公告）日：2004-10-28

  The present invention is directed to compounds of formula (I), 1 or a pharmaceutically suitable salt or prodrug thereof, which are useful for the selective inhibition of protein tyrosine phosphatase-1B (PTP1B), and are useful for the treatment of disorders caused by overexpressed or altered protein tyrosine phosphatase 1B.

  本发明涉及式(I)的化合物，或其药用适宜盐或前药，用于选择性抑制蛋白酪氨酸磷酸酶-1B（PTP1B），并且用于治疗由过度表达或改变的蛋白酪氨酸磷酸酶1B引起的疾病。
• US7169797B2
  申请人：——

  公开号：US7169797B2

  公开（公告）日：2007-01-30