phosphoric acid mono-(2-{[2-((S)-2-o-tolyl-chroman-6-yloxy)-thiazole-5-carbonyl]amino}ethyl) ester | 1426899-70-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: phosphoric acid mono-(2-{[2-((S)-2-o-tolyl-chroman-6-yloxy)-thiazole-5-carbonyl]amino}ethyl) ester
• 英文别名: 2-[[2-[[(2S)-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-5-carbonyl]amino]ethyl dihydrogen phosphate
• CAS: 1426899-70-8
• 化学式: C₂₂H₂₃N₂O₇PS
• 分子量: 490.474
• InChiKey: UZLPFCIFXVIRKX-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  155
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  phosphoric acid mono-(2-{[2-((S)-2-o-tolyl-chroman-6-yloxy)-thiazole-5-carbonyl]amino}ethyl) ester 在 sodium hydroxide 作用下， 以 水 为溶剂， 以460 mg的产率得到phosphoric acid mono-(2-{[2-((S)-2-o-tolyl-chroman-6-yloxy)-thiazole-5-carbonyl]-amino}-ethyl) ester disodium salt
  参考文献：
  名称：

  SUBSTITUTED 2-(CHROMAN-6-YLOXY)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS

  摘要：

  本发明涉及式I的取代2-(色甘醇-6-氧基)-噻唑衍生物，其中Ar、R2、R3和R4如权利要求中所定义。式I的化合物是钠-钙交换蛋白（NCX）的抑制剂，特别是亚型1的钠-钙交换蛋白（NCX1），适用于处理细胞内钙离子稳态受扰的各种疾病，如心律失常、心力衰竭和中风。本发明还涉及制备式I的化合物的方法，它们作为药物的用途，以及包含它们的药物组合物。

  公开号：

  US20130065859A1
• 作为产物：
  描述：

  2-羟基-5-溴苯乙酮 在 N-甲基吗啉 、 四氮唑 、 盐酸 、 三乙基硅烷 、 正丁基锂 、 硼烷四氢呋喃络合物 、 palladium 10% on activated carbon 、 氢气 、 potassium carbonate 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三氟乙酸 、 potassium hydroxide 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 二氯甲烷 、 环己烷 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 43.84h， 生成 phosphoric acid mono-(2-{[2-((S)-2-o-tolyl-chroman-6-yloxy)-thiazole-5-carbonyl]amino}ethyl) ester
  参考文献：
  名称：

  Substituted 2-(chroman-6-yloxy)-thiazoles and their use as pharmaceuticals

  摘要：

  公开号：

  EP2567958B1

文献信息

• SUBSTITUTED 2-(CHROMAN-6-YLOXY)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS
  申请人：CZECHTIZKY Werngard

  公开号：US20130065859A1

  公开（公告）日：2013-03-14

  The present invention relates to substituted 2-(chroman-6-yloxy)-thiazoles of the formula I, in which Ar, R2, R3 and R4 are as defined in the claims. The compounds of the formula I are inhibitors of the sodium-calcium exchanger (NCX), especially of the sodium-calcium exchanger of subtype 1 (NCX1), and are suitable for the treatment of diverse disorders in which intracellular calcium homeostasis is disturbed, such as arrhythmias, heart failure and stroke. The invention furthermore relates to processes for the preparation of the compounds of the formula I, their use as pharmaceuticals, and pharmaceutical compositions comprising them.

  本发明涉及式I的取代2-(色甘醇-6-氧基)-噻唑衍生物，其中Ar、R2、R3和R4如权利要求中所定义。式I的化合物是钠-钙交换蛋白（NCX）的抑制剂，特别是亚型1的钠-钙交换蛋白（NCX1），适用于处理细胞内钙离子稳态受扰的各种疾病，如心律失常、心力衰竭和中风。本发明还涉及制备式I的化合物的方法，它们作为药物的用途，以及包含它们的药物组合物。
• [EN] SUBSTITUTED 2-(CHROMAN-6-YLOXY)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS<br/>[FR] 2-(CHROMAN-6-YLOXY)-THIAZOLES SUBSTITUÉS ET LEUR UTILISATION EN TANT QUE PRODUITS PHARMACEUTIQUES
  申请人：SANOFI SA

  公开号：WO2013037724A1

  公开（公告）日：2013-03-21

  The present invention relates to substituted 2-(chroman-6-yloxy)-thiazoles of the formula I in which Ar, R2, R3 and R4 are as defined in the claims. The compounds of the formula I are inhibitors of the sodium-calcium exchanger (NCX), especially of the sodium-calcium exchanger of subtype 1 (NCX1 ), and are suitable for the treatment of diverse disorders in which intracellular calcium homeostasis is disturbed, such as arrhythmias, heart failure and stroke. The invention furthermore relates to processes for the preparation of the compounds of the formula I, their use as pharmaceuticals, and pharmaceutical compositions comprising them.

  本发明涉及公式I中Ar、R2、R3和R4所定义的取代的2-(色甘醇-6-氧基)-噻唑。公式I的化合物是钠钙交换蛋白(NCX)的抑制剂，特别是亚型1的钠钙交换蛋白(NCX1)，适用于治疗细胞内钙稳态紊乱的各种疾病，如心律失常、心力衰竭和中风。此外，该发明还涉及制备公式I化合物的方法，它们作为药物的用途，以及包含它们的药物组合物。
• [EN] SUBSTITUTED 2-(CHROMAN-6-YLOXY)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS<br/>[FR] THIAZOLES À SUBSTITUTION 2-(CHROMAN-6-YLOXY) ET LEUR UTILISATION COMME PRODUITS PHARMACEUTIQUES
  申请人：SANOFI SA

  公开号：WO2013037388A1

  公开（公告）日：2013-03-21

  The present invention relates to substituted 2-(chroman-6-yloxy)-thiazoles of the formula (I), in which Ar, R2, R3 and R4 are as defined in the claims. The compounds of the formula (I) are inhibitors of the sodium-calcium exchanger (NCX), especially of the sodium-calcium exchanger of subtype 1 (NCX1), and are suitable for the treatment of diverse disorders in which intracellular calcium homeostasis is disturbed, such as arrhythmias, heart failure and stroke. The invention furthermore relates to processes for the preparation of the compounds of the formula (I), their use as pharmaceuticals, and pharmaceutical compositions comprising them.

  本发明涉及式(I)的取代2-(色苷-6-氧基)-噻唑，其中Ar、R2、R3和R4如权利要求中所定义。式(I)的化合物是钠钙交换蛋白(NCX)的抑制剂，特别是钠钙交换蛋白的亚型1(NCX1)的抑制剂，并适用于治疗细胞内钙离子稳态紊乱的各种疾病，如心律失常、心力衰竭和中风。此外，该发明还涉及制备式(I)化合物的方法，它们作为药物的用途，以及包含它们的药物组合物。
• SUBSITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS
  申请人：Sanofi

  公开号：US20140243292A1

  公开（公告）日：2014-08-28

  The present invention relates to substituted 2-(chroman-6-yloxy)-thiazoles of the formula I, in which Ar, R2, R3 and R4 are as defined in the claims. The compounds of the formula I are inhibitors of the sodium-calcium exchanger (NCX), especially of the sodium-calcium exchanger of subtype 1 (NCX1), and are suitable for the treatment of diverse disorders in which intracellular calcium homeostasis is disturbed, such as arrhythmias, heart failure and stroke. The invention furthermore relates to processes for the preparation of the compounds of the formula I, their use as pharmaceuticals, and pharmaceutical compositions comprising them.

  本发明涉及式I的取代2-(色烯-6-氧基)-噻唑，其中Ar，R2，R3和R4如权利要求所定义。公式I化合物是钠钙交换器（NCX）的抑制剂，特别是钠钙交换器亚型1（NCX1）的抑制剂，并适用于治疗细胞内钙离子稳态受到干扰的多种疾病，如心律失常，心力衰竭和中风。本发明还涉及制备公式I化合物的方法，它们作为药物的用途，以及包含它们的制药组合物。
• SUBSTITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS
  申请人：SANOFI

  公开号：US20170037042A1

  公开（公告）日：2017-02-09

  The present invention relates to substituted 2-(chroman-6-yloxy)-thiazoles of the formula I, in which Ar, R2, R3 and R4 are as defined in the claims. The compounds of the formula I are inhibitors of the sodium-calcium exchanger (NCX), especially of the sodium-calcium exchanger of subtype 1 (NCX1), and are suitable for the treatment of diverse disorders in which intracellular calcium homeostasis is disturbed, such as arrhythmias, heart failure and stroke. The invention furthermore relates to processes for the preparation of the compounds of the formula I, their use as pharmaceuticals, and pharmaceutical compositions comprising them.