1-{4-[5-methyl-2-({[3-methyl-4'-(trifluoromethyl)-4-biphenylyl]methyl}oxy)phenyl]-1,3-thiazol-2-yl}-4-piperidinecarboxylic acid | 1207617-64-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-{4-[5-methyl-2-({[3-methyl-4'-(trifluoromethyl)-4-biphenylyl]methyl}oxy)phenyl]-1,3-thiazol-2-yl}-4-piperidinecarboxylic acid
• 英文别名: 1-[4-[5-Methyl-2-[[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
• CAS: 1207617-64-8
• 化学式: C₃₁H₂₉F₃N₂O₃S
• 分子量: 566.644
• InChiKey: OPVRTVQEIGFGSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  40
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  90.9
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  1-{4-[5-methyl-2-({[3-methyl-4'-(trifluoromethyl)-4-biphenylyl]methyl}oxy)phenyl]-1,3-thiazol-2-yl}-4-piperidinecarboxylic acid 、 C.I.酸性橙108 以 二氯甲烷 为溶剂， 以74.5%的产率得到1-{4-[5-methyl-2-({[3-methyl-4'-(trifluoromethyl)-4-biphenylyl]methyl}oxy)phenyl]-1,3-thiazol-2-yl}-4-piperidinecarboxylic acid 2-aminoethanol (1:1)
  参考文献：
  名称：

  [EN] THIAZOLE COMPOUNDS AS MEDICAMENTS FOR THE TREATMENT OF (INTER ALIA) CARDIOVASCULAR DISEASES
  [FR] COMPOSÉS THIAZOLE UTILISÉS COMME ACTIVATEURS DE LA GUANYLATE CYCLASE SOLUBLE

  摘要：

  公开号：

  WO2010015652A3
• 作为产物：
  描述：

  Ethyl 1-[4-[5-methyl-2-[[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate 在 水 、 sodium hydroxide 、 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 以82%的产率得到1-{4-[5-methyl-2-({[3-methyl-4'-(trifluoromethyl)-4-biphenylyl]methyl}oxy)phenyl]-1,3-thiazol-2-yl}-4-piperidinecarboxylic acid
  参考文献：
  名称：

  [EN] THIAZOLE COMPOUNDS AS MEDICAMENTS FOR THE TREATMENT OF (INTER ALIA) CARDIOVASCULAR DISEASES
  [FR] COMPOSÉS THIAZOLE UTILISÉS COMME ACTIVATEURS DE LA GUANYLATE CYCLASE SOLUBLE

  摘要：

  公开号：

  WO2010015652A3

文献信息

• The use of sGC stimulators, sGC activators, alone and combinations with PDE5 inhibitors for the treatment of systemic sclerosis (SSc)
  申请人：BIP Patents

  公开号：EP2594270A2

  公开（公告）日：2013-05-22

  The use of sGC stimulators, sGC activators alone, or in combination with PDE5 inhibitors for the prevention and treatment of fibrotic diseases, such as systemic sclerosis, scleroderma, and the concomitant fibrosis of internal organs.

  将 sGC 刺激剂、sGC 激活剂单独使用或与 PDE5 抑制剂联合使用，用于预防和治疗纤维化疾病，如系统性硬化症、硬皮病以及伴随而来的内脏器官纤维化。
• [EN] THIAZOLE COMPOUNDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE<br/>[FR] COMPOSÉS THIAZOLE UTILISÉS COMME ACTIVATEURS DE LA GUANYLATE CYCLASE SOLUBLE
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2010015652A2

  公开（公告）日：2010-02-11

  Disclosed are compounds of formula (I) wherein R1 and R2 are independently selected from hydrogen, halo, C1-4alkyl, C1-4alkoxy, CF3 and OCF3; -Y- represents formula (IA) R3 represents hydrogen, fluoro, chloro or C1-4alkyl; R4a and R4b each independently represent hydrogen, C1-4alkyl, C1-4alkoxy, CF3 or halo; and R5 represents a group Z-X; wherein Z is absent or represents (CH2)2 or O; and X represents formula (IB) wherein: J and L both represent CH, or one of J and L represents CH and the other represents N; when both J and L represent CH, R6 represents hydrogen, halo, CF3, C1-4alkyl or C1-4alkoxy in a meta or ortho position relative to the R7 substituent and R7 represents hydrogen, halo, CF3, OCF3, C1-4alkyl, C1-4alkoxy, CH2OH, CN, CONR8R9 or CO2H; or when one of J or L represents N, R6 represents hydrogen or halo in a meta or ortho position relative to the R7 substituent and R7 represents hydrogen, halo, CF3, C1-4alkyl, C1-4alkoxy, CH2OH, CN, CONR8R9 or CO2H; and R8 and R9 are independently selected from hydrogen and C1-4alkyl; or salts thereof which activate soluble guanylate cyclase (sGC), pharmaceutical compositions containing them, their use in medicine, and processes for their preparation.
• [EN] THIAZOLE COMPOUNDS AS MEDICAMENTS FOR THE TREATMENT OF (INTER ALIA) CARDIOVASCULAR DISEASES<br/>[FR] COMPOSÉS THIAZOLE UTILISÉS COMME ACTIVATEURS DE LA GUANYLATE CYCLASE SOLUBLE
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2010015652A3

  公开（公告）日：2010-05-14