N-[(S)-1,2-dioxo-1-[N-(3,4-methylenedioxyphenyl)amino]-3-heptyl]-1-[N-(morpholine-4-carbonyl)amino]cyclohexanecarboxamide | 274685-60-8

• 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)-1,2-dioxo-1-[N-(3,4-methylenedioxyphenyl)amino]-3-heptyl]-1-[N-(morpholine-4-carbonyl)amino]cyclohexanecarboxamide
• 英文别名: N-[1-[[(3S)-1-(1,3-benzodioxol-5-ylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide
• CAS: 274685-60-8
• 化学式: C₂₆H₃₆N₄O₇
• 分子量: 516.594
• InChiKey: VZZWKZXRZPZRRE-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  135
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• Epoxycarboxamide compound, azide compound, and amino alcohol compound, and process for preparing alpha-keto amide compound using them
  申请人：Seikagaku Corporation

  公开号：US20030153788A1

  公开（公告）日：2003-08-14

  The present invention is to provide manufacturing intermediates which can be led to useful &agr;-ketoamide compounds having protease-inhibiting activity extremely economically and stereoselectively, and to provide epoxycarboxamide compounds, azide compounds and amino alcohol compounds represented by the following formulae: 1 wherein R 1 and R 2 each represents alkyl group, alkenyl group, aromatic hydrocarbon group or heterocyclic group; R 3 represents alkyl group, alkenyl group, aromatic hydrocarbon group, heterocyclic group, R 6 —O— or R 7 —N(R 8 )—; where R 6 represents alkyl group, alkenyl group, aromatic hydrocarbon group or heterocyclic group; R 7 and R 8 each represents hydrogen atom, alkyl group, alkenyl group, aromatic hydrocarbon group or heterocyclic group, and, R 4 and R 5 represent the same groups as R 7 and R 8 , respectively, and R 4 and R 5 optionally form a ring together; and X represents —O— or —N(R 9 )—, where R 9 represents hydrogen atom or alkyl group, and X optionally forms a ring together with R 4 or R 5 , and processes for preparing &agr;-keto amide compound using the same.

  本发明旨在提供制造中间体，以极其经济和立体选择性地导向有蛋白酶抑制活性的有用α-酮酰胺化合物，并提供由以下式表示的环氧羧酰胺化合物，叠氮化合物和氨基醇化合物：其中R1和R2分别表示烷基，烯基，芳香族烃基或杂环基；R3表示烷基，烯基，芳香族烃基，杂环基，R6-O-或R7-N（R8）-；其中R6表示烷基，烯基，芳香族烃基或杂环基；R7和R8分别表示氢原子，烷基，烯基，芳香族烃基或杂环基，而R4和R5分别表示与R7和R8相同的基团，R4和R5可选择性地共同形成环；X表示-O-或-N（R9）-，其中R9表示氢原子或烷基，X可选择性地与R4或R5共同形成环，以及使用它们制备α-酮酰胺化合物的方法。
• EPOXYCARBOXAMIDE COMPOUND, AZIDE COMPOUND, AND AMINO ALCOHOL COMPOUND, AND PROCESS FOR PREPARING a-KETO AMIDE COMPOUND USING THEM
  申请人：KOBAYASHI Nobuo

  公开号：US20120197015A1

  公开（公告）日：2012-08-02

  The present invention is directed to providing epoxycarboxamide compounds, azide compounds and amino alcohol compounds which serve as manufacturing intermediates that can lead to useful α-ketoamide compounds, and the present invention is also is directed to processes for preparing α-ketoamide compounds using the intermediates. The epoxycarboxamide compounds, azide compounds and amino alcohol compounds are represented by the following formulae: wherein R 1 , R 2 , R 3 , R 4 and R 5 , as well as subvariables for one or more of R 1 , R 2 , R 3 , R 4 and R 5 are as defined herein.

  本发明旨在提供作为制造中间体的环氧羧酰胺化合物、叠氮化合物和氨基醇化合物，这些中间体可以导致有用的α-酮酰胺化合物，并且本发明还旨在提供使用这些中间体制备α-酮酰胺化合物的过程。环氧羧酰胺化合物、叠氮化合物和氨基醇化合物由以下式表示：其中R1、R2、R3、R4和R5以及R1、R2、R3、R4和R5中一个或多个的子变量如本文所定义。
• EPOXYCARBOXYLIC ACID AMIDES, AZIDES AND AMINO ALCOHOLS AND PROCESSES FOR PREPARATION OF ALPHA-KETO AMIDES BY USING THEM
  申请人：Seikagaku Corporation

  公开号：EP1295876A1

  公开（公告）日：2003-03-26

  The present invention is to provide manufacturing intermediates which can be led to useful α-ketoamide compounds having protease-inhibiting activity extremely economically and stereoselectively, and to provide epoxycarboxamide compounds, azide compounds and amino alcohol compounds represented by the following formulae:    wherein R1 and R2 each represents alkyl group, alkenyl group, aromatic hydrocarbon group or heterocyclic group; R3 represents alkyl group, alkenyl group, aromatic hydrocarbon group, heterocyclic group, R6-O- or R7-N(R8)-; where R6 represents alkyl group, alkenyl group, aromatic hydrocarbon group or heterocyclic group; R7 and R8 each represents hydrogen atom, alkyl group, alkenyl group, aromatic hydrocarbon group or heterocyclic group, and, R4 and R5 represent the same groups as R7 and R8, respectively, and R4 and R5 optionally form a ring together; and X represents -O- or -N(R9)-, where R9 represents hydrogen atom or alkyl group, and X optionally forms a ring together with R4 or R5, and processes for preparing α-keto amide compound using the same.

  本发明旨在提供可极其经济地、立体选择性地生产出有用的、具有蛋白酶抑制活性的α-酮酰胺化合物的中间体，并提供由下式表示的环氧甲酰胺化合物、叠氮化合物和氨基醇化合物： 其中 R1 和 R2 各自代表烷基、烯基、芳香烃基或杂环基；R3 代表烷基、烯基、芳香烃基、杂环基、R6-O- 或 R7-N(R8)-；其中 R6 代表烷基、烯基、芳香烃基或杂环基；R7 和 R8 分别代表氢原子、烷基、烯基、芳香烃基或杂环基，并且，R4 和 R5 分别代表与 R7 和 R8 相同的基团，并且 R4 和 R5 有选择地共同形成一个环；以及 X 代表-O-或-N(R9)-，其中 R9 代表氢原子或烷基，并且 X 有选择地与 R4 或 R5 共同形成一个环、 以及用其制备α-酮酰胺化合物的工艺。
• 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。