5,6-diamino-1-(3,4-dimethoxyphenethyl)-2-thioxo-2,3-dihydro-pyrimidin-4(1H)-one | 1222373-80-9

• 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: 5,6-diamino-1-(3,4-dimethoxyphenethyl)-2-thioxo-2,3-dihydro-pyrimidin-4(1H)-one
• 英文别名: 5,6-Diamino-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidenepyrimidin-4-one
• CAS: 1222373-80-9
• 化学式: C₁₄H₁₈N₄O₃S
• 分子量: 322.388
• InChiKey: KDALYIWIBAMPJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  135
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,3-二羟基-1,4-二氧杂环己烷 、 5,6-diamino-1-(3,4-dimethoxyphenethyl)-2-thioxo-2,3-dihydro-pyrimidin-4(1H)-one 以 乙醇 为溶剂， 反应 3.0h， 以28%的产率得到1-(3,4-dimethoxyphenethyl)-2-thioxo-2,3-dihydropteridin-4(1H)-one
  参考文献：
  名称：

  Evaluation of 2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one analogues as GAA activators

  摘要：

  Pompe disease is a lysosomal storage disease (LSD) caused by a deficiency in the lysosomal enzyme acid alpha-glucosidase. In several LSDs, enzyme inhibitors have been used as small molecule chaperones to facilitate and increase the translocation of mutant protein from the endoplasmic reticulum to the lysosome. Enzyme activators with chaperone activity would be even more desirable as they would not inhibit the enzyme after translocation and might potentiate the activity of the enzyme that is successfully translocated. Herein we report our initial findings of a new series of acid alpha-glucosidase activators. Published by Elsevier Masson SAS.

  DOI：

  10.1016/j.ejmech.2010.01.027
• 作为产物：
  描述：

  6-amino-1-(3,4-dimethoxyphenethyl)-5-nitroso-2-thioxo-2,3-dihydro-pyrimidin-4(1H)-one 在 氨 、 sodium dithionite 、 盐酸 作用下， 以 水 为溶剂， 反应 0.33h， 以30%的产率得到5,6-diamino-1-(3,4-dimethoxyphenethyl)-2-thioxo-2,3-dihydro-pyrimidin-4(1H)-one
  参考文献：
  名称：

  Evaluation of 2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one analogues as GAA activators

  摘要：

  Pompe disease is a lysosomal storage disease (LSD) caused by a deficiency in the lysosomal enzyme acid alpha-glucosidase. In several LSDs, enzyme inhibitors have been used as small molecule chaperones to facilitate and increase the translocation of mutant protein from the endoplasmic reticulum to the lysosome. Enzyme activators with chaperone activity would be even more desirable as they would not inhibit the enzyme after translocation and might potentiate the activity of the enzyme that is successfully translocated. Herein we report our initial findings of a new series of acid alpha-glucosidase activators. Published by Elsevier Masson SAS.

  DOI：

  10.1016/j.ejmech.2010.01.027

文献信息

• Evaluation of 2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one analogues as GAA activators
  作者：Juan J. Marugan、Wei Zheng、Omid Motabar、Noel Southall、Ehud Goldin、Ellen Sidransky、Ronald A. Aungst、Ke Liu、Subir Kumar Sadhukhan、Christopher P. Austin

  DOI：10.1016/j.ejmech.2010.01.027

  日期：2010.5

  Pompe disease is a lysosomal storage disease (LSD) caused by a deficiency in the lysosomal enzyme acid alpha-glucosidase. In several LSDs, enzyme inhibitors have been used as small molecule chaperones to facilitate and increase the translocation of mutant protein from the endoplasmic reticulum to the lysosome. Enzyme activators with chaperone activity would be even more desirable as they would not inhibit the enzyme after translocation and might potentiate the activity of the enzyme that is successfully translocated. Herein we report our initial findings of a new series of acid alpha-glucosidase activators. Published by Elsevier Masson SAS.