{[3-(4-氯苯基)-3-氧代-1-苯基丙基]硫基}乙酸 | 133961-81-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 中文名称: {[3-(4-氯苯基)-3-氧代-1-苯基丙基]硫基}乙酸
• 中文别名: 2-{[3-(4-氯苯基)-3-羰基-1-苯基丙基]硫代}乙酸
• 英文名称: 2-(3-(4-Chlorophenyl)-3-oxo-1-phenylpropylthio)acetic acid
• 英文别名: Acetic acid, 2-[[3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]thio]-；2-[3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]sulfanylacetic acid
• CAS: 133961-81-6
• 化学式: C₁₇H₁₅ClO₃S
• 分子量: 334.823
• InChiKey: GKJHKTABFYRMPR-UHFFFAOYSA-N

物化性质

• 熔点：
  123-124 °C
• 沸点：
  548.1±50.0 °C(Predicted)
• 密度：
  1.326±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  79.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  disodium thioglycolate 、 (trans)-2,3-dibromo-1-(4-chlorophenyl)-3-phenylpropan-1-one 以 乙醇 为溶剂， 反应 4.0h， 生成 {[3-(4-氯苯基)-3-氧代-1-苯基丙基]硫基}乙酸
  参考文献：
  名称：

  SYNTHESIS AND C-S BOND FISSION OF 1,3-DIARYL-3-THIOGLYCOLIC ACID-1-PROPANONES

  摘要：

  1,3-Diaryl-3-thioglycolic acid-1-propanones 3a-k have been synthesized by the reaction of either erythro-2,3-dibromo-1,3-diaryl-1-propanones 1a-k or their corresponding trans-chalcones 2(a-k) with disodio-thioglycolate in absolute ethanol. The structure of the products was proven by UV, IR, NMR spectra and elemental analysis. A reaction mechanism leading to the products, and the carbon-sulfur bond fission in alkaline medium were discussed.

  DOI：

  10.1080/10426500008043683

文献信息

• ALLOSTERIC PROTEIN KINASE MODULATORS
  申请人：Engel Matthias

  公开号：US20120046307A1

  公开（公告）日：2012-02-23

  The invention provides specific small molecule compounds that allosterically regulate the activity or modulate protein-protein interactions of AGC protein kinases and the Aurora family of protein kinases, methods for their production, pharmaceutical compositions comprising same, and their use for preparing medicaments for the treatment and prevention of diseases related to abnormal activities of AGC protein kinases or of protein kinases of the Aurora family.

  本发明提供了特定的小分子化合物，它们通过变构调节AGC蛋白激酶的活性或调节Aurora家族蛋白激酶的蛋白质-蛋白质相互作用，其生产方法，包含该化合物的药物组合物，以及它们用于制备治疗和预防与AGC蛋白激酶或Aurora家族蛋白激酶异常活动相关疾病的药物的应用。
• Allosteric protein kinase modulators
  申请人：Universität des Saarlandes

  公开号：EP2177510A1

  公开（公告）日：2010-04-21

  The invention provides specific small molecule compounds that allosterically regulate the activity or modulate protein-protein interactions of AGC protein kinases and the Aurora family of protein kinases, methods for their production, pharmaceutical compositions comprising same, and their use for preparing medicaments for the treatment and prevention of diseases related to abnormal activities of AGC protein kinases or of protein kinases of the Aurora family.

  本发明提供了可异位调节 AGC 蛋白激酶和 Aurora 家族蛋白激酶活性或调节蛋白-蛋白相互作用的特异性小分子化合物、其生产方法、包含这些化合物的药物组合物，以及它们用于制备治疗和预防与 AGC 蛋白激酶或 Aurora 家族蛋白激酶异常活性相关疾病的药物的用途。
• Reprogramming cells
  申请人：The Scripps Research Institute

  公开号：US10738281B2

  公开（公告）日：2020-08-11

  The present invention provides for methods, compositions, and kits for producing an induced pluripotent stem cell from a non-pluripotent mammalian cell using a 3′-phosphoinositide-dependent kinase-1 (PDK1) activator or a compound that promotes glycolytic metabolism as well as other small molecules.

  本发明提供了利用3′-磷酸肌醇依赖性激酶-1（PDK1）激活剂或促进糖代谢的化合物以及其他小分子，从非多能哺乳动物细胞中产生诱导多能干细胞的方法、组合物和试剂盒。
• Synthesis of carboxylic acid derivatives of dihydrochalcones
  作者：Albert L�vai

  DOI：10.1007/bf00815173

  日期：——

  Reaction of chalcones 1-8 with thioglycolic acid, 3-mercaptopropionic acid or thiosalicylic acid gives dihydrochalcone derivatives 9-23.
• LEVAI, ALBERT, MONATSH. CHEM., 122,(1991) N-2, C. 127-129
  作者：LEVAI, ALBERT

  DOI：——

  日期：——