N-[(S)-1-[N-[(S)-hexahydro-2-azepinone-3-yl]amino]-1,2-dioxo-3-heptyl]-1-[N-(morpholine-4-carbonyl)amino]cyclohexanecarboxamide | 274685-44-8

• 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: N-[(S)-1-[N-[(S)-hexahydro-2-azepinone-3-yl]amino]-1,2-dioxo-3-heptyl]-1-[N-(morpholine-4-carbonyl)amino]cyclohexanecarboxamide
• 英文别名: N-[1-[[(3S)-1,2-dioxo-1-[[(3S)-2-oxoazepan-3-yl]amino]heptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide
• CAS: 274685-44-8
• 化学式: C₂₅H₄₁N₅O₆
• 分子量: 507.63
• InChiKey: BRORJAZNRLFNPW-OALUTQOASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  146
• 氢给体数：
  4
• 氢受体数：
  6

文献信息

• (R)-chiral halogenated 1-substitutedamino-(n+1)-alkanols useful for inhibiting cholesteryl ester transfer protein activity
  申请人：G.D. Searle & Co.

  公开号：US20040044048A1

  公开（公告）日：2004-03-04

  The invention relates to substituted aryl and heteroaryl (R)-Chiral Halogenated 1-Substitutedamino-(n+1)-Alkanol compounds useful as inhibitors of cholesteryl ester transfer protein (CETP; plasma lipid transfer protein-I) and compounds, compositions and methods for treating atherosclerosis and other coronary artery diseases. Novel high yield, stereoselective processes for the preparation of the chiral substituted alkanol compounds from chiral and achiral intermediates are described. Preferred (R)-Chiral 1-Substitutedamino-(n+1)-Alkanol compounds are substituted (R)-Chiral fused heterocyclic amino compounds. A preferred specific (R)-Chiral fused heterocyclic amino compound is: 1

  本发明涉及取代芳基和杂环芳基(R)-手性卤代1-取代氨基-(n+1)-脂肪醇化合物，可用作胆固醇酯转移蛋白(CETP；血浆脂质转移蛋白-I)的抑制剂以及用于治疗动脉粥样硬化和其他冠状动脉疾病的化合物、组合物和方法。本文描述了从手性和非手性中间体制备手性取代脂肪醇化合物的新型高产率、立体选择性过程。首选(R)-手性1-取代氨基-(n+1)-脂肪醇化合物是取代(R)-手性融合杂环氨基化合物。首选的特定(R)-手性融合杂环氨基化合物是：1。
• Substituted cyclohexyl carboxylic acid compounds
  申请人：SEIKAGAKU CORPORATION

  公开号：EP1616859A1

  公开（公告）日：2006-01-18

  Cyclic carboxylic acid derivatives represented by the general formula (II); wherein R1 is an amide group substituted with substituted or unsubstituted alkyl groups, substituted alkoxy groups, phenoxy group, 1-naphthyloxy group, 2-naphthyloxy group, substituted or unsubtituted alkenyl groups, substituted or unsubstituted amino groups, substituted or unsubstituted aromatic hydrocarbon groups or substituted or unsubstituted heterocyclic groups and A represents a saturated cyclic alkyl with 5 to 7 carbon atoms. The cyclic carboxylic acid derivatives of formula (II) are useful for the synthesis of cyclic amide derivatives useful as cathepsin K inhibitors.

  由通式 (II) 代表的环状羧酸衍生物； 其中 R1 是被取代或未取代的烷基、取代的烷氧基、苯氧基、1-萘氧基、2-萘氧基、取代或未取代的烯基、取代或未取代的氨基、取代或未取代的芳香烃基或取代或未取代的杂环基取代的酰胺基，A 代表具有 5 至 7 个碳原子的饱和环状烷基。 式（II）的环状羧酸衍生物可用于合成作为胰蛋白酶 K 抑制剂的环状酰胺衍生物。
• Hydroxycarboxylic acid derivatives
  申请人：SEIKAGAKU CORPORATION

  公开号：EP1616867A1

  公开（公告）日：2006-01-18

  Hydroxycarboxylic acid derivatives represented by the general formula (V); wherein: R1 represents a substituted C1-C12 alkyl group; a substituted C2-C6 alkenyl group; a substituted amino group; a substituted C1-C6 alkoxy group; a substituted C1-C6 alkylthio group; a substituted carbamoyl group; a substituted sulfonamide group; or a substituted amide group; R2 represents a hydrogen atom, a substituted or unsubstituted alkyl group, a substituted or unsubstituted aromatic hydrocarbon group or a substituted or unsubstituted heterocyclic group; the ring A represents a saturated cyclic alkyl group with 5 to 7 carbon atoms; The hydroxycarboxylic acid derivatives of formula (V) are useful for the synthesis of cyclic amide derivatives useful as cathepsin K inhibitors.

  通式 (V) 所代表的羟基羧酸衍生物； 其中 R1 代表取代的 C1-C12 烷基；取代的 C2-C6 烯基；取代的氨基；取代的 C1-C6 烷氧基；取代的 C1-C6 烷硫基；取代的氨基甲酰基；取代的磺酰胺基；或取代的酰胺基； R2 代表氢原子、取代或未取代的烷基、取代或未取代的芳烃基或取代或未取代的杂环基； 环 A 代表具有 5 至 7 个碳原子的饱和环状烷基； 式（V）的羟基羧酸衍生物可用于合成可用作 cathepsin K 抑制剂的环酰胺衍生物。
• N-(3-acyl-2-hydroxyalkyl) cycloalkyl amide derivatives
  申请人：SEIKAGAKU CORPORATION

  公开号：EP1619189A1

  公开（公告）日：2006-01-25

  Alcohol derivatives represented by the general formula (IV); wherein: R1 represents a substituted C1-C12 alkyl group; a substituted C2-C6 alkenyl group; a substituted amino group; a substituted C1-C6 alkoxy group; a substituted C1-C6 alkylthio group; a substituted carbamoyl group; a substituted sulfonamide group; or a substituted amide group; the ring A represents a saturated cyclic alkyl group with 5 to 7 carbon atoms; R2 represents a hydrogen atom, a substituted or unsubstituted alkyl group, a substituted or unsubstituted aromatic hydrocarbon group or a substituted or unsubstituted heterocyclic group; R3 represents a hydrogen atom, a group represented by the general formula R4O- ; or a group represented by the general formula R5(R6)N-wherein R4 represents a hydrogen atom, a substituted or unsubstituted alkyl group, a substituted or unsubstituted aromatic hydrocarbon group or a substituted or unsubstituted heterocyclic group; R5 and R6 may be the same or different and each represents a hydrogen atom, a substituted or unsubstituted alkyl group, a substituted or unsubstituted aromatic hydrocarbon group or a substituted or unsubstituted heterocyclic group, The cyclic carboxylic acid derivatives of formula (IV) are useful for the synthesis of cyclic amide derivatives useful as cathepsin K inhibitors.

  通式 (IV) 所代表的醇衍生物； 其中 R1 代表取代的 C1-C12 烷基；取代的 C2-C6 烯基；取代的氨基；取代的 C1-C6 烷氧基；取代的 C1-C6 烷硫基；取代的氨基甲酰基；取代的磺酰胺基；或取代的酰胺基； 环 A 代表具有 5 至 7 个碳原子的饱和环状烷基； R2 代表氢原子、取代或未取代的烷基、取代或未取代的芳香烃基或取代或未取代的杂环基； R3 代表氢原子、通式 R4O- 所代表的基团；或通式 R5(R6)N- 所代表的基团，其中 R4 代表氢原子、取代或未取代的烷基、取代或未取代的芳烃基团或取代或未取代的杂环基团；R5 和 R6 可以相同或不同，各自代表氢原子、取代或未取代的烷基、取代或未取代的芳烃基团或取代或未取代的杂环基团、 式（IV）的环状羧酸衍生物可用于合成作为胰蛋白酶 K 抑制剂的环状酰胺衍生物。
• Cyclic amide derivatives which inhibit cathepsin K
  申请人：SEIKAGAKU CORPORATION

  公开号：EP1008592B1

  公开（公告）日：2006-02-01