3-Pentyl-5-(6-carboxyhexyl)-1-(2-hydroxy-2-cyclohexylethylamino) hydantoin | 118675-57-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-Pentyl-5-(6-carboxyhexyl)-1-(2-hydroxy-2-cyclohexylethylamino) hydantoin
• 英文别名: 7-[3-[(2-Cyclohexyl-2-hydroxyethyl)amino]-2,5-dioxo-1-pentylimidazolidin-4-yl]heptanoic acid
• CAS: 118675-57-3
• 化学式: C₂₃H₄₁N₃O₅
• 分子量: 439.596
• InChiKey: HPMIWGKUSWULNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  31
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  110
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• Substituted hydantoin compounds
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0284202A1

  公开（公告）日：1988-09-28

  The present invention is concerned with compounds of formula (I) wherein Z is C₅₋₁₂ straight or branched alkyl, C₃₋₁₂ alkenyl or alkynyl, C₆ or C₁₀ aryl, C₆ or C₁₀ aryl-C₁₋₁₂ alkyl (wherein in either case the aryl group is optionally substituted by one or more groups independently selected from phenyl, C₁₋₄ alkyl, C₁₋₄ alkoxy, nitro, and halo) or C₄₋₈ cycloalkyl-C₁₋₁₂ alkyl; Z¹ is a group of formula -CH₂-X-X¹-X², wherein X is selected from -(CH₂)₂-­and cis and trans -CH=CH-, X¹ is a covalent bond or a straight or branched alkylene chain having from 1 to 6 carbon atoms optionally having one of its methylene groups replaced by oxa (-O-) or this (-S-) provided that at least one carbon atom separates the oxa or thia group from a carboxyl or -CH=CH-­group, and X² is a carboxyl group, a C₁₋₄ alkyl ester, or an amide group; Z² is a group selected from -NH-CH₂-R and -N=CH=R, wherein R is a group selected from -CO-Y and -CH(Y¹)-Y, Y being a group selected from C₃₋₈ alkyl, C₃₋₈ alkenyl, phenyl-C₁₋₄ alkyl and phenyl (wherein the phenyl group in both cases is optimally substituted by one or more groups independently selected from C₁₋₄ alkyl, C₁₋₄ alkoxy, nitro, halo and trihalomethyl), C₄₋₈ cycloalkyl, and 5- or 6-membered heterocyclic radicals containing at least one heteroatom selected from oxygen, sulphur and nitrogen; and Y¹ being a group selected from hydrogen, hydroxy, C₁₋₄ alkoxy and C₂₋₅ acyloxy; and salts and solvates thereof.

  本发明涉及式（I）化合物 其中 Z 是 C₅₋₁₂ 直链或支链烷基、C₃₋₁₂ 烯基或炔基、C₆ 或 C₁₀ 芳基、C₆或 C₁₀芳基-C₁₋₁₂烷基（在这两种情况下，芳基可选择被一个或多个独立选自苯基的基团取代、C₄₋₈环烷基-C₁₋₁₂烷基）或 C₄₋₈ 环烷基-C₁₋₁₂烷基； Z¹ 是式-CH₂-X-X¹-X²的基团，其中 X 选自-(CH₂)₂和顺式和反式-CH=CH-、X¹ 是共价键或具有 1 至 6 个碳原子的直链或支链亚烷基链，其一个亚甲基可选择被氧杂（-O-）或本杂（-S-）取代，条件是至少有一个碳原子将氧杂或本杂基团与羧基或-CH=CH-基团隔开；X² 是羧基、C₁₋₄ 烷基酯或酰胺基； Z² 是选自-NH-CH₂-R 和-N=CH=R 的基团，其中 R 是选自-CO-Y 和-CH(Y¹)-Y 的基团，Y 是选自 C₃₋₈ 烷基、C₃₋₈ 烯基苯基-C₁₋₄烷基和苯基（其中苯基在这两种情况下最好被一个或多个独立选自 C₁₋₄ 烷基的基团取代、C₁₋₄烷氧基、硝基、卤代和三卤甲基）、C₄₋₈环烷基和含有至少一个选自氧、硫和氮的杂原子的 5 或 6 元杂环基；和 Y¹ 是选自氢、羟基、C₁₋₄ 烷氧基和 C₂₋₅酰氧基的基团；以及它们的盐和溶剂。