ethyl 5-{5-bromo-2-[(3-{1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl}-1,2,4-thiadiazol-5-yl)amino]pyridin-4-yl}oxy-4,6-dimethylpyridine-3-carboxylate | 945988-31-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ethyl 5-{5-bromo-2-[(3-{1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl}-1,2,4-thiadiazol-5-yl)amino]pyridin-4-yl}oxy-4,6-dimethylpyridine-3-carboxylate
• 英文别名: ethyl 5-(2-(3-(1-(tert-butoxycarbonyl)piperidin-4-yl)-1,2,4-thiadiazol-5-ylamino)-5-bromopyridin-4-yloxy)-4,6-dimethylnicotinate；ethyl 5-[5-bromo-2-[[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-thiadiazol-5-yl]amino]pyridin-4-yl]oxy-4,6-dimethylpyridine-3-carboxylate
• CAS: 945988-31-8
• 化学式: C₂₇H₃₃BrN₆O₅S
• 分子量: 633.566
• InChiKey: AWYGDLCKORMHSK-UHFFFAOYSA-N

物化性质

• 沸点：
  674.2±65.0 °C(Predicted)
• 密度：
  1.404±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  40
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  157
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  ethyl 5-{5-bromo-2-[(3-{1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl}-1,2,4-thiadiazol-5-yl)amino]pyridin-4-yl}oxy-4,6-dimethylpyridine-3-carboxylate 在 sodium hydroxide 、 乙醇 、 水 作用下， 反应 3.0h， 生成
  参考文献：
  名称：

  WO2008/91770

  摘要：

  公开号：
• 作为产物：
  描述：

  2-氯-4-硝基吡啶 在 tris-(dibenzylideneacetone)dipalladium(0) 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 吡啶 、 sodium hydroxide 、 potassium phosphate 、 potassium permanganate 、 氨基甲酸叔丁酯 、 硫酸 、 溴 、 sodium hydride 、 溶剂黄146 作用下， 以 水 、 N,N-二甲基甲酰胺 、 甲苯 、 乙腈 、 苯 为溶剂， 反应 13.17h， 生成 ethyl 5-{5-bromo-2-[(3-{1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl}-1,2,4-thiadiazol-5-yl)amino]pyridin-4-yl}oxy-4,6-dimethylpyridine-3-carboxylate
  参考文献：
  名称：

  WO2007/89512

  摘要：

  公开号：

文献信息

• CHEMICAL COMPOUNDS-821
  申请人：Finlay Maurice Raymond

  公开号：US20090048269A1

  公开（公告）日：2009-02-19

  The invention relates to chemical compounds of the formula (I), or pharmaceutically acceptable salts thereof, which possess ALK5 (TGFβR1) inhibitory activity and are accordingly useful for their anti-cancer activity and thus in methods of treatment of the human or animal body. The invention also relates to processes for the manufacture of said chemical compounds, to pharmaceutical compositions containing them and to their use in the manufacture of medicaments for use in the production of an anti-cancer effect in a warm-blooded animal such as man.

  该发明涉及化学式(I)的化合物，或其药学上可接受的盐，具有ALK5（TGFβR1）抑制活性，因此在抗癌活性方面有用，从而在治疗人体或动物体的方法中有用。该发明还涉及制造上述化学化合物的方法，含有它们的药物组合物，以及它们在制造用于在温血动物（如人）中产生抗癌效果的药物中的使用。
• GLUCOKINASE ACTIVATORS
  申请人：Aicher Thomas D.

  公开号：US20090247526A1

  公开（公告）日：2009-10-01

  Provided are compounds of formula I wherein R 2 , L, Z, Y, G and R 1 are as defined herein, that are useful in the treatment and/or prevention of diseases or disorders mediated by deficient levels of glucokinase activity or which can be treated by activating glucokinase including, but not limited to, diabetes mellitus, impaired glucose tolerance, IFG (impaired fasting glucose) and IFG (impaired fasting glycemia), as well as other diseases and disorders such as those discussed herein.

  提供了化合物I的公式，其中R2、L、Z、Y、G和R1的定义如此处所述，这些化合物在治疗和/或预防由葡萄糖激酶活性不足介导的疾病或疾病中有用，或者可以通过激活葡萄糖激酶来治疗，包括但不限于糖尿病、糖耐量受损、IFG（空腹血糖受损）和IFG（空腹高血糖）以及其他疾病和疾病，如本文所讨论的。
• 2-AMINOPYRIDINE DERIVATIVES AS GLUCOKINASE ACTIVATORS
  申请人：Aicher Thomas Daniel

  公开号：US20100099713A1

  公开（公告）日：2010-04-22

  Provided are compounds having the Formula I or salts thereof, wherein R 2 , L, R 3 , R 11 , D 2 and R 13 are as defined herein, that are useful in the treatment and/or prevention of diseases mediated by deficient levels of glucokinase activity, such as diabetes mellitus. Also provided are methods of treating or preventing diseases and disorders characterized by underactivity of glucokinase or which can be treated by activating glucokinase.

  提供的化合物具有I式或其盐，其中R2、L、R3、R11、D2和R13的定义如本文所述，可用于治疗和/或预防由葡萄糖激酶活性不足引起的疾病，如糖尿病。还提供了治疗或预防由葡萄糖激酶活性不足或可以通过激活葡萄糖激酶治疗的疾病和疾病的方法。
• Glucokinase activators
  申请人：Array Biopharma, Inc.

  公开号：US08022222B2

  公开（公告）日：2011-09-20

  Provided are compounds of formula I wherein R2, L, Z, Y, G and R1 are as defined herein, that are useful in the treatment and/or prevention of diseases or disorders mediated by deficient levels of glucokinase activity or which can be treated by activating glucokinase including, but not limited to, diabetes mellitus, impaired glucose tolerance, IFG (impaired fasting glucose) and IFG (impaired fasting glycemia), as well as other diseases and disorders such as those discussed herein.

  提供了公式I的化合物，其中R2，L，Z，Y，G和R1的定义如本文所述，它们可用于治疗和/或预防由于葡萄糖激酶活性不足引起或可以通过激活葡萄糖激酶治疗的疾病或疾病，包括但不限于糖尿病，糖耐量受损，IFG（空腹血糖受损）和IFG（空腹高血糖症），以及其他疾病和疾病，如本文所述。
• 2-aminopyridine derivatives as glucokinase activators
  申请人：Aicher Thomas Daniel

  公开号：US08431713B2

  公开（公告）日：2013-04-30

  Provided are compounds having the Formula I or salts thereof, wherein R2, L, R3, R11, D2 and R13 are as defined herein, that are useful in the treatment and/or prevention of diseases mediated by deficient levels of glucokinase activity, such as diabetes mellitus. Also provided are methods of treating or preventing diseases and disorders characterized by underactivity of glucokinase or which can be treated by activating glucokinase.

  提供了具有公式I或其盐的化合物，其中R2、L、R3、R11、D2和R13的定义如本文所述，这些化合物在治疗和/或预防由葡萄糖激酶活性不足介导的疾病，如糖尿病等方面是有用的。还提供了治疗或预防由葡萄糖激酶活性不足或可以通过激活葡萄糖激酶治疗的疾病和疾病的方法。