(13b)phosphoric acid (2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl)diethyl ester | 911233-81-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (13b)phosphoric acid (2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl)diethyl ester
• 英文别名: phosphoric acid (2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl) diethyl ester；(2-amino-4H-indeno[1,2-d][1,3]thiazol-8-yl) diethyl phosphate
• CAS: 911233-81-3
• 化学式: C₁₄H₁₇N₂O₄PS
• 分子量: 340.34
• InChiKey: PJWBHHAZFJDGLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  112
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (13b)phosphoric acid (2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl)diethyl ester 在 三甲基溴硅烷 作用下， 以 二氯甲烷 为溶剂， 生成 (2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl) dihydrogen phosphate
  参考文献：
  名称：

  Synthesis, SAR, and X-ray structure of tricyclic compounds as potent FBPase inhibitors

  摘要：

  With the aim of discovering a novel class of fructose-1,6-bisphosphatase (FBPase) inhibitors, a series of compounds based on tricyclic scaffolds was synthesized. Extensive SAR studies led to the finding of 8l with an IC50 value of 0.013 mu M against human FBPase. An X-ray crystallographic study revealed that 8l bound at AMP binding sites of human liver FBPase with hydrogen bonding interactions similar to AMP. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.081
• 作为产物：
  描述：

  、 硫脲 在 sodium acetate 作用下， 以 乙醇 为溶剂， 生成 (13b)phosphoric acid (2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl)diethyl ester
  参考文献：
  名称：

  Synthesis, SAR, and X-ray structure of tricyclic compounds as potent FBPase inhibitors

  摘要：

  With the aim of discovering a novel class of fructose-1,6-bisphosphatase (FBPase) inhibitors, a series of compounds based on tricyclic scaffolds was synthesized. Extensive SAR studies led to the finding of 8l with an IC50 value of 0.013 mu M against human FBPase. An X-ray crystallographic study revealed that 8l bound at AMP binding sites of human liver FBPase with hydrogen bonding interactions similar to AMP. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.081