3-Methyl 5-(6-(((4-methylphenyl)sulphonyl)oxy)hexyl) 4-(3-chloro-6-fluoro-2-(trifluoromethyl)phenyl)-2-(fluoromethyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate | 104043-61-0

• 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: 3-Methyl 5-(6-(((4-methylphenyl)sulphonyl)oxy)hexyl) 4-(3-chloro-6-fluoro-2-(trifluoromethyl)phenyl)-2-(fluoromethyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate
• 英文别名: 3-O-methyl 5-O-[6-(4-methylphenyl)sulfonyloxyhexyl] 4-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]-2-(fluoromethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
• CAS: 104043-61-0
• 化学式: C₃₀H₃₁ClF₅NO₇S
• 分子量: 680.09
• InChiKey: YNTQVCFEMAUKJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  45
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  116
• 氢给体数：
  1
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  3-hydroxy-1-methyl-5-phenylpyrazole 、 3-Methyl 5-(6-(((4-methylphenyl)sulphonyl)oxy)hexyl) 4-(3-chloro-6-fluoro-2-(trifluoromethyl)phenyl)-2-(fluoromethyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate 以 二甲基亚砜 为溶剂， 生成 3-Methyl 5-(6-(1-methyl-5-phenylpyrazol-3-yloxy)hexyl) 4-(3-chloro-6-fluoro-2-(trifluoromethyl)phenyl)-2-(fluoromethyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate
  参考文献：
  名称：

  EP225175

  摘要：

  公开号：

文献信息

• Dihydropyridines, processes and intermediates for their production, and pharmaceutical formulations containing them
  申请人：FISONS plc

  公开号：EP0174131A2

  公开（公告）日：1986-03-12

  There are described compounds of formula 1, in which R,, R2, R3, Rs and R6 are as defined in the specification and R4 is a phenyl group carrying 3 or 4 substituents or is an unsaturated 5 membered heterocyclic group containing a single hetero-atom selected from oxygen, sulphur or nitrogen, R4 being substituted by CF3, XR22, nitro, halogen, CN, alkyl C1 to 6, formyl dioxalanyl, -N(R23)COR24 -CONR25R26, or amino which is optionally substituted by phenylsulphonyl or by trifluoroacetyl, and R4 carries a substituent on the atom adjacent to the atom through which R4 is connected to the remainder of the molecule, R22 is phenyl or alkyl C1 to 6 optionally substituted by halogen, X is 0 or S(O)n, n is 0, 1 or 2, and R23, R24, R25 and R26, which may be the same or different, are each hydrogen or alkyl C1 to 6. There are also described methods for making the compounds, and their formulation and use as pharmaceuticals, eg for the treatment of cardiovascular conditions. There are further described compounds R4CHO which are useful in making compounds of formula I.

  所述化合物为式 1、 其中 R,、R2、R3、Rs 和 R6 如说明书中所定义，R4 是带有 3 或 4 个取代基的苯基，或者是含有一个选自氧、硫或氮的杂原子的不饱和 5 位杂环基团，R4 被 CF3、XR22、R4被 CF3、XR22、硝基、卤素、CN、C1-6 烷基、二噁烷甲酰基、-N(R23)COR24-CONR25R26 或任选被苯磺酰基或三氟乙酰基取代的氨基取代，且 R4 在与 R4 通过其与分子其余部分相连的原子相邻的原子上带有一个取代基、 R22 是苯基或任选被卤素取代的 C1 至 6 烷基、 X 是 0 或 S(O)n、 n 是 0、1 或 2，以及 R23、R24、R25 和 R26（可以相同或不同）各自为氢或 C1-6 烷基。 还描述了制造这些化合物的方法，以及它们作为药物的配制和使用，例如用于治疗心血管疾病。 此外，还描述了可用于制造式 I 化合物的 R4CHO 化合物。
• EP225175
  申请人：——

  公开号：——

  公开（公告）日：——