5-Tert-butyl-2-[(4-pyridin-4-yloxyphenyl)carbamoylamino]thiophene-3-carboxylic acid | 890664-88-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-Tert-butyl-2-[(4-pyridin-4-yloxyphenyl)carbamoylamino]thiophene-3-carboxylic acid
• CAS: 890664-88-7
• 化学式: C₂₁H₂₁N₃O₄S
• 分子量: 411.481
• InChiKey: KCJDJHXHARSPDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  129
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  硫代吗啉 、 5-Tert-butyl-2-[(4-pyridin-4-yloxyphenyl)carbamoylamino]thiophene-3-carboxylic acid 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 21.0h， 以83%的产率得到1-(5-tert-butyl-3-(thiomorpholine-4-carbonyl)thiophen-2-yl)-3-(4-(pyridin-4-yloxy)phenyl)urea
  参考文献：
  名称：

  WO2006/62984

  摘要：

  公开号：

文献信息

• INHIBITORS OF PROTEIN KINASES
  申请人：Michelotti Enrique Luis

  公开号：US20090192307A1

  公开（公告）日：2009-07-30

  The present invention is directed to a compound having the formula wherein R 1 , R 2 , R 3 , R 4 , G, and Q are defined herein. The compounds of the present invention are useful as inhibitors of protein kinases. The present invention is also directed to compositions comprising a compound according to the above formula. The present invention is also directed to compounds that stabilize the open conformation of a protein kinase, a crystallized protein kinase in the open conformation, and uses thereof. The compounds and compositions described herein are useful for treating and preventing an inflammatory condition or disease.

  本发明涉及一种具有以下式子的化合物，其中R1、R2、R3、R4、G和Q如下所定义。本发明的化合物可用作蛋白激酶抑制剂。本发明还涉及包含上述式子中的化合物的组合物。本发明还涉及稳定蛋白激酶开放构象的化合物，以及开放构象的结晶蛋白激酶和其用途。本发明所描述的化合物和组合物可用于治疗和预防炎症性疾病或病症。
• US7612200B2
  申请人：——

  公开号：US7612200B2

  公开（公告）日：2009-11-03
• [EN] INHIBITORS OF PROTEIN KINASES<br/>[FR] INHIBITEURS DE PROTEINES KINASES
  申请人：LOCUS PHARMACEUTICALS INC

  公开号：WO2006062984A2

  公开（公告）日：2006-06-15

  [EN] The present invention is directed to a compound having the formula (I) wherein R¹, R², R³, R⁴, G, and Q are defined herein. The compounds of the present invention are useful as inhibitors of protein kinases. The present invention is also directed to compositions comprising a compound according to the above formula. The present invention is also directed to compounds that stabilize the open conformation of a protein kinase, a crystallized protein kinase in the open conformation, and uses thereof. The compounds and compositions described herein are useful for treating and preventing an inflammatory condition or disease.
  [FR] L'invention concerne un composé de formule (I) dans laquelle R¹, R², R³, R⁴, G et Q sont tels que définis dans la description. Les composés selon l'invention sont utiles comme inhibiteurs de protéines kinases. L'invention concerne également des compositions renfermant un composé selon la formule susmentionnée. L'invention concerne, en outre, des composés stabilisant la conformation ouverte d'une protéine kinase, une protéine kinase cristallisée en conformation ouverte et l'utilisation de ceux-ci. Les composés et compositions selon l'invention sont utiles dans le traitement et la prévention d'un état ou d'une maladie inflammatoire.