N-(dimethylsulfamoyl)-2-[[[1-(5-methoxypyridin-2-yl)cyclopropanecarbonyl]-[3-(3-methylphenyl)propyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide | 1282547-51-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(dimethylsulfamoyl)-2-[[[1-(5-methoxypyridin-2-yl)cyclopropanecarbonyl]-[3-(3-methylphenyl)propyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide
• CAS: 1282547-51-6
• 化学式: C₂₈H₃₅N₅O₅S₂
• 分子量: 585.748
• InChiKey: GRSDFAHNEYHXOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  40
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  158
• 氢给体数：
  1
• 氢受体数：
  9

文献信息

• SUBSTITUTED AMIDE COMPOUND
  申请人：ASTELLAS PHARMA INC.

  公开号：US20130231320A1

  公开（公告）日：2013-09-05

  A substituted amide compound is useful as an active ingredient of a pharmaceutical composition, in particular a pharmaceutical composition for treating diseases caused by lysophosphatidic acid (LPA). The compound is of a formula: In this formula, A is an optionally substituted aryl, etc.; B is an optionally substituted 5-membered aromatic hetero ring group; X is a single bond or —(CR X1 R X2 ) n —; n is 1, 2, 3, or 4; R X1 and R X2 are hydrogen, etc.; Y 1 to Y 5 are each CR Y or N; each R Y is hydrogen, etc.; R 1 and R 2 are hydrogen, etc.; m is 1, 2, or 3; R 3 is hydrogen, etc.; and R 4 is an optically substituted lower alkyl, etc.

  一种取代酰胺化合物可作为药物组成物的活性成分，特别适用于治疗由溶血磷脂酸（LPA）引起的疾病的药物组成物。该化合物的化学式为：在该式中，A是可选的取代芳基等；B是可选的取代5-成员芳香杂环基团；X是单键或-(CRX1RX2)n-；n为1、2、3或4；RX1和RX2是氢等；Y1至Y5分别是CRY或N；每个RY是氢等；R1和R2是氢等；m为1、2或3；R3是氢等；R4是可旋光取代的低碳基等。