(2S,4S)-4-hydroxy-pyrrolidine-1,2-dicarboxylic acid 2-amide 1-[(2-tert-butyl-4'-methyl-[4,5']bithiazolyl-2'-yl)-amide] | 1163705-36-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S,4S)-4-hydroxy-pyrrolidine-1,2-dicarboxylic acid 2-amide 1-[(2-tert-butyl-4'-methyl-[4,5']bithiazolyl-2'-yl)-amide]
• 英文别名: (2S,4S)-1-N-[5-(2-tert-butyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-1,2-dicarboxamide
• CAS: 1163705-36-9
• 化学式: C₁₇H₂₃N₅O₃S₂
• 分子量: 409.533
• InChiKey: JOOCEMIYLLRCTN-ONGXEEELSA-N

物化性质

• 密度：
  1.424±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  178
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-(5-acetyl-4-methylthiazol-2-yl)acetamide 在 盐酸 、 溴 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 93.0h， 生成 (2S,4S)-4-hydroxy-pyrrolidine-1,2-dicarboxylic acid 2-amide 1-[(2-tert-butyl-4'-methyl-[4,5']bithiazolyl-2'-yl)-amide]
  参考文献：
  名称：

  Identification and optimisation of a 4′,5-bisthiazole series of selective phosphatidylinositol-3 kinase alpha inhibitors

  摘要：

  Exploring the affinity-pocket binding moiety of a 2-aminothiazole (S)-proline-amide-urea series of selective PI3K alpha inhibitors using a parallel-synthesis approach led to the identification of a novel 4',5-bisthiazole sub-series. The synthesis and optimisation of both the affinity pocket and (S)-proline amide moieties within this 4',5-bisthiazole sub-series are described. From this work a number of analogues, including 14 (A66) and 24, were identified as potent and selective PI3K alpha inhibitor in vitro tool compounds. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.06.078

文献信息

• Organic Compounds
  申请人：Caravatti Giorgio

  公开号：US20090163469A1

  公开（公告）日：2009-06-25

  The present invention relates to compounds of formula I and its salts, wherein the substituents are as defined in the description, to compositions and use of the compounds in the treatment of diseases ameloriated by inhibition of phosphatidylinositol 3-kinase.

  本发明涉及公式I的化合物及其盐，其中取代基如描述中所定义，以及该化合物在治疗通过抑制磷脂酰肌醇3-激酶改善的疾病中的应用。
• [EN] BIS-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS<br/>[FR] COMPOSÉS ORGANIQUES
  申请人：NOVARTIS AG

  公开号：WO2009080705A3

  公开（公告）日：2009-09-24
• COMPOSITIONS AND METHODS OF OBTAINING AND USING ENDODERM AND HEPATOCYTE CELLS
  申请人：Genentech Inc.

  公开号：US20170002313A1

  公开（公告）日：2017-01-05

  The invention provides for efficient methods for generating populations of endoderm cells and/or differentiated cells derived from endoderm cells (e.g., hepatic cells, pancreatic precursor cells, pancreatic cells, intestinal progenitor cells, intestinal cells, lung progenitor cells, lung cells, etc.). Also provided are compositions of endoderm cells and differentiated cells derived from endoderm cells (e.g., hepatic cells, pancreatic precursor cells, pancreatic cells, intestinal progenitor cells, intestinal cells, lung progenitor cells, lung cells, etc.) and methods of using such cells.
• [EN] COMPOSITIONS AND METHODS OF OBTAINING AND USING ENDODERM AND HEPATOCYTE CELLS<br/>[FR] COMPOSITIONS ET PROCÉDÉS D'OBTENTION ET D'UTILISATION DE CELLULES ENDODERMIQUES ET D'HÉPATOCYTES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2013174794A1

  公开（公告）日：2013-11-28

  The invention provides for efficient methods for generating populations of endoderm cells and/or differentiated cells derived from endoderm cells (e.g., hepatic cells, pancreatic precursor cells, pancreatic cells, intestinal progenitor cells, intestinal cells, lung progenitor cells, lung cells, etc.). Also provided are compositions of endoderm cells and differentiated cells derived from endoderm cells (e.g., hepatic cells, pancreatic precursor cells, pancreatic cells, intestinal progenitor cells, intestinal cells, lung progenitor cells, lung cells, etc.) and methods of using such cells.
• Identification and optimisation of a 4′,5-bisthiazole series of selective phosphatidylinositol-3 kinase alpha inhibitors
  作者：Robin A. Fairhurst、Patricia Imbach-Weese、Marc Gerspacher、Giorgio Caravatti、Pascal Furet、Thomas Zoller、Christine Fritsch、Dorothea Haasen、Joerg Trappe、Daniel A. Guthy、Dorothee Arz、Jasmin Wirth

  DOI：10.1016/j.bmcl.2015.06.078

  日期：2015.9

  Exploring the affinity-pocket binding moiety of a 2-aminothiazole (S)-proline-amide-urea series of selective PI3K alpha inhibitors using a parallel-synthesis approach led to the identification of a novel 4',5-bisthiazole sub-series. The synthesis and optimisation of both the affinity pocket and (S)-proline amide moieties within this 4',5-bisthiazole sub-series are described. From this work a number of analogues, including 14 (A66) and 24, were identified as potent and selective PI3K alpha inhibitor in vitro tool compounds. (C) 2015 Elsevier Ltd. All rights reserved.