acetic acid 2-(3-methyl-thiophen-2-yl)-ethyl ester | 1158211-01-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: acetic acid 2-(3-methyl-thiophen-2-yl)-ethyl ester
• 英文别名: 2-(3-methyl-thiophen-2-yl)-ethyl acetate；Acetic acid 2-(3-methyl-thiophen-2-yl)-ethyl ester；2-(3-methylthiophen-2-yl)ethyl acetate
• CAS: 1158211-01-8
• 化学式: C₉H₁₂O₂S
• 分子量: 184.259
• InChiKey: UFYYKLMLKQWLIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  54.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  acetic acid 2-(3-methyl-thiophen-2-yl)-ethyl ester 在 氯化亚砜 、 三氧化硫 、 氨 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 acetic acid 2-(3-methyl-5-sulfamoyl-thiophen-2-yl)-ethyl ester
  参考文献：
  名称：

  Orally active aminopyridines as inhibitors of tetrameric fructose-1,6-bisphosphatase

  摘要：

  A novel sulfonylureido pyridine series exemplified by compound 19 yielded potent inhibitors of FBPase showing significant glucose reduction and modest glycogen lowering in the acute db/db mouse model for Type-2 diabetes. Our inhibitors occupy the allosteric binding site and also extend into the dyad interface region of tetrameric FBPase. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.04.044
• 作为产物：
  描述：

  2-溴-3-甲基噻吩 、 2-{[(4-methylphenyl)sulfonyl]oxy} ethyl acetate 在 magnesium 作用下， 以 乙醚 为溶剂， 生成 acetic acid 2-(3-methyl-thiophen-2-yl)-ethyl ester
  参考文献：
  名称：

  Orally active aminopyridines as inhibitors of tetrameric fructose-1,6-bisphosphatase

  摘要：

  A novel sulfonylureido pyridine series exemplified by compound 19 yielded potent inhibitors of FBPase showing significant glucose reduction and modest glycogen lowering in the acute db/db mouse model for Type-2 diabetes. Our inhibitors occupy the allosteric binding site and also extend into the dyad interface region of tetrameric FBPase. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.04.044

文献信息

• NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES
  申请人：Hebeisen Paul

  公开号：US20090143448A1

  公开（公告）日：2009-06-04

  Compounds of formula (I) as well as pharmaceutically acceptable salts and esters thereof, wherein R 1 to R 3 have the significance given in claim 1 and which can be used in the form of pharmaceutical compositions.

  式(I)的化合物以及其药用可接受的盐和酯，其中R1至R3具有权利要求1中给定的含义，并可用于制成药物组合物。
• NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES
  申请人：Haap Wolfgang

  公开号：US20090143439A1

  公开（公告）日：2009-06-04

  Compounds of formula (I) as well as pharmaceutically acceptable salts and esters thereof wherein the residues have the significance given in claim 1 and which can be used in the form of pharmaceutical compositions.

  式(I)的化合物以及其药用可接受的盐和酯，其中残基具有在权利要求1中给出的意义，并且可以用作药物组合物的形式。
• Aminothiazoles as FBPase inhibitors for diabetes
  申请人：Hoffman-La Roche Inc.

  公开号：US07973051B2

  公开（公告）日：2011-07-05

  Compounds of formula (I) as well as pharmaceutically acceptable salts and esters thereof, wherein R1 to R3 have the significance given in claim 1 and which can be used in the form of pharmaceutical compositions.

  化合物(I)的公式，以及其药学上可接受的盐和酯，其中R1到R3具有权利要求1中给出的意义，并且可以用于制成药物组成物的形式。
• Pyridines as FBPase inhibitors for treatment of diabetes
  申请人：Hoffmann-LA Roche Inc.

  公开号：US08163778B2

  公开（公告）日：2012-04-24

  Compounds of formula (I) as well as pharmaceutically acceptable salts and esters thereof wherein the residues have the significance given in claim 1 and which can be used in the form of pharmaceutical compositions.

  式(I)的化合物，以及其药学上可接受的盐和酯，其中残基具有权利要求1中给定的意义，并可用于制备药物组合物。
• PYRIDINE COMPOUNDS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2227452A2

  公开（公告）日：2010-09-15