(+/-)-S-acetyl-3-thioglyceraldehyde diethyl acetal | 160334-58-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硫代羧酸及其衍生物
• 英文名称: (+/-)-S-acetyl-3-thioglyceraldehyde diethyl acetal
• 英文别名: 3-acetylthioglyceraldehyde diethyl acetal；S-(3,3-diethoxy-2-hydroxypropyl)ethanethiolate；S-acetyl (3,3-diethoxy-2-hydroxypropyl)thiol；S-(3,3-diethoxy-2-hydroxypropyl) ethanethioate
• CAS: 160334-58-7
• 化学式: C₉H₁₈O₄S
• 分子量: 222.306
• InChiKey: OEAPDHMTWJGZGI-UHFFFAOYSA-N

物化性质

• 沸点：
  322.7±42.0 °C(Predicted)
• 密度：
  1.116±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  14
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  81.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (+/-)-S-acetyl-3-thioglyceraldehyde diethyl acetal 在 盐酸 作用下， 以 水 为溶剂， 反应 2.0h， 生成 (+/-)-3-thioglyceraldehyde
  参考文献：
  名称：

  [EN] SUBSTITUTED SEVEN-MEMBERED HETEROCYCLIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES
  [FR] COMPOSÉS HÉTÉROCYCLIQUES SUBSTITUÉS À SEPT CHAÎNONS EN TANT QU'INHIBITEURS DE LA DIPEPTIDYL-PEPTIDASE IV POUR LE TRAITEMENT DU DIABÈTE

  摘要：

  本发明涉及结构式（I）的新型氨基取代的七元杂环化合物，这些化合物是二肽基肽酶-IV酶的抑制剂，并且在治疗或预防二肽基肽酶-IV酶参与的疾病中有用，如糖尿病，特别是2型糖尿病。该发明还涉及包含这些化合物的药物组合物以及在预防或治疗二肽基肽酶-IV酶参与的这类疾病中使用这些化合物和组合物。

  公开号：

  WO2011146358A1
• 作为产物：
  描述：

  丙烯醛缩二乙醇 在 双氧水 、 potassium hydrogencarbonate 、 potassium thioacetate 作用下， 以 甲醇 、 二氯甲烷 、 苯甲腈 为溶剂， 反应 75.0h， 生成 (+/-)-S-acetyl-3-thioglyceraldehyde diethyl acetal
  参考文献：
  名称：

  5-硫代-D-吡喃木糖的化学酶法合成

  摘要：

  5-硫代-D-吡喃木糖是一种用于制备具有抗血栓形成活性的药物的合成子，它是通过相应的酮糖、5-硫代-D-呋喃木糖和葡萄糖异构酶的酶促异构化合成的。该化合物是通过两种不同的化学酶促途径获得的，关键步骤是立体有择地形成 C-C 键，由转酮醇酶或果糖-1,6-二磷酸醛缩酶催化。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)

  DOI：

  10.1002/ejoc.200600627

文献信息

• [EN] SUBSTITUTED AMINOTETRAHYDROTHIOPYRANS AND DERIVATIVES THEREOF AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES<br/>[FR] AMINOTÉTRAHYDROTHIOPYRANES SUBSTITUÉS ET DÉRIVÉS DE CEUX-CI UTILISÉS EN TANT QU'INHIBITEURS DE LA DIPEPTIDYLPEPTIDASE-IV DANS LE CADRE DU TRAITEMENT DU DIABÈTE
  申请人：MERCK SHARP & DOHME

  公开号：WO2011103256A1

  公开（公告）日：2011-08-25

  The present invention is directed to novel substituted aminotetrahydrothiopyrans and derivatives thereof of structural formula (I) which are inhibitors of the dipeptidyl peptidase-IV enzyme and which are useful in the treatment or prevention of diseases in which the dipeptidyl peptidase-IV enzyme is involved, such as diabetes and particularly Type 2 diabetes. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which the dipeptidyl peptidase-IV enzyme is involved.

  本发明涉及一种新型的取代氨基四氢硫代吡喃及其衍生物，其化学结构式为(I)，这些化合物是二肽基肽酶-IV酶的抑制剂，对于治疗或预防二肽基肽酶-IV酶参与的疾病非常有用，例如糖尿病，特别是2型糖尿病。该发明还涉及包含这些化合物的药物组合物以及在预防或治疗二肽基肽酶-IV酶参与的这类疾病中使用这些化合物和组合物。
• SUBSTITUTED AMINOTETRAHYDROTHIOPYRANS AND DERIVATIVES THEREOF AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES
  申请人：Wilkening Robert R.

  公开号：US20120277240A1

  公开（公告）日：2012-11-01

  The present invention is directed to novel substituted aminotetrahydrothiopyrans and derivatives thereof of structural formula (I) which are inhibitors of the dipeptidyl peptidase-IV enzyme and which are useful in the treatment or prevention of diseases in which the dipeptidyl peptidase-IV enzyme is involved, such as diabetes and particularly Type 2 diabetes. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which the dipeptidyl peptidase-IV enzyme is involved.

  本发明涉及一种新型的取代氨基四氢硫吡喃及其衍生物，其化学结构式为(I)，这些化合物是二肽基肽酶-IV酶的抑制剂，可用于治疗或预防二肽基肽酶-IV酶参与的疾病，如糖尿病，特别是2型糖尿病。本发明还涉及包含这些化合物的制药组合物，以及这些化合物和组合物在预防或治疗二肽基肽酶-IV酶参与的疾病方面的用途。
• SUBSTITUTED SEVEN-MEMBERED HETEROCYCLIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES
  申请人：Hicks Jacqueline D.

  公开号：US20130203786A1

  公开（公告）日：2013-08-08

  The present invention is directed to novel amino-substituted seven-membered heterocyclic compounds of structural formula (I) which are inhibitors of the dipeptidyl peptidase-IV enzyme and which are useful in the treatment or prevention of diseases in which the dipeptidyl peptidase-IV enzyme is involved, such as diabetes and particularly Type 2 diabetes. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which the dipeptidyl peptidase-IV enzyme is involved.

  本发明涉及结构式(I)的新型氨基取代七元杂环化合物，其是二肽基肽酶IV酶的抑制剂，可用于治疗或预防二肽基肽酶IV酶参与的疾病，如糖尿病，特别是2型糖尿病。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗二肽基肽酶IV酶参与的疾病方面使用这些化合物和组合物。
• A New Route to Deoxythio sugars Based on Aldolases
  作者：Wen-Chih Chou、Lihren Chen、Jim-Min Fang、Chi-Huey Wong

  DOI：10.1021/ja00093a018

  日期：1994.7

  A new route to deoxythiosugars based on aldolases has been developed. Representative syntheses of several thioketoses and 1-deoxy-5-thio-D-glucose, 1-deoxy-5-thio-D-galactose, 1-deoxy-5-thio-L-altrose, 1-deoxy-5-thio-D-mannose, 1-deoxy-5-thio-L-mannose, and 2-deoxy-5-thio-D-ribose are illustrated with the use of fructose 1,6-diphosphate aldolase, fuculose 1-phosphate aldolase, rhamnulose 1-phosphate aldolase, and 2-deoxyribose 5-phosphate aldolase in reaction with an appropriate thioaldehyde, followed by reduction with triethylsilane in the presence of BF3.Et(2)O.
• US8853212B2
  申请人：——

  公开号：US8853212B2

  公开（公告）日：2014-10-07