3R-(2S-benzyl-4-methyl-piperazine-1-carbonyl)-6-(4-ethoxy-phenyl)-2S-hydroxy-hexanoic acid hydroxyamide | 847038-46-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 3R-(2S-benzyl-4-methyl-piperazine-1-carbonyl)-6-(4-ethoxy-phenyl)-2S-hydroxy-hexanoic acid hydroxyamide
• 英文别名: (2S,3R)-3-[(2S)-2-benzyl-4-methylpiperazine-1-carbonyl]-6-(4-ethoxyphenyl)-N,2-dihydroxyhexanamide
• CAS: 847038-46-4
• 化学式: C₂₇H₃₇N₃O₅
• 分子量: 483.608
• InChiKey: RWOSCSMZLYHOBV-CAOCKLPOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  35
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  102
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• [EN] DERIVATIVES OF HYDROXAMIC ACID AS METALLOPROTEINASE INHIBITORS<br/>[FR] DERIVES D'ACIDE HYDROXAMIQUE UTILISES COMME INHIBITEURS DE METALLOPROTEINASES
  申请人：VERNALIS OXFORD LTD

  公开号：WO2005019194A1

  公开（公告）日：2005-03-03

  Compounds of formula (I) are inhibitors of matrix metalloproteinases, and are of use in the treatment of, for example fibrotic disease, multiple sclerosis, emphysemia, bronchitis and asthma: formula (I) wherein Ar represents an optionally substituted aryl, heteroaryl, C3-C8 cycloalkyl or heterocycloakyl group; R represents hydrogen or C1-C6 alkyl, or C3-C6 cycloalkyl; Alk represents a divalent C1-C5 alkylene or C2-C5 alkenylene radical; and R1 and R2 taken together with the nitrogen atom to which they are attached form a first heterocycloalkyl ring which is optionally fused to a second C3-C8 cycloalkyl or heterocycloalkyl ring, the said first and second rings being optionally substituted by at least one group of formula (II): formula (II) wherein m, p and n are independently 0 or 1; Z represents, hydrogen, or an optionally substituted carbocyclic or heterocyclic ring of from 5 to 7 ring atoms which is optionally fused to another optionally substituted carbocyclic or heterocyclic ring of from 5 to 7 ring atoms; Alk1 and Alk2 independently represent optionally substituted divalent C1-C3 alkylene radicals; X represents -0-, -S-, -S(O)-, -S(O2)-, -C(=O)-, -NH-, -NR3-, -S(O2)NH-, -S(O2)NR3-, -NHS(O2)-, or -NR3S(O2)-, where R3 is C1-C3 alkyl.

  式(I)的化合物是基质金属蛋白酶的抑制剂，并可用于治疗纤维化疾病、多发性硬化症、肺气肿、支气管炎和哮喘等疾病：式(I)中Ar代表可选择地取代的芳基、杂环芳基、C3-C8环烷基或杂环烷基基团；R代表氢或C1-C6烷基，或C3-C6环烷基；Alk代表二价的C1-C5烷基或C2-C5烯基基团；R1和R2与它们连接的氮原子一起形成第一杂环烷基环，该环可选择地与第二个C3-C8环烷基或杂环烷基环融合，所述的第一和第二环可选择地被至少一个式(II)的基团取代：式(II)中m、p和n独立地为0或1；Z代表氢，或由5至7个环原子组成的可选择地取代的碳环或杂环环，该环可选择地与另一个由5至7个环原子组成的可选择地取代的碳环或杂环环融合；Alk1和Alk2独立地代表可选择地取代的二价的C1-C3烷基基团；X代表-0-、-S-、-S(O)-、-S(O2)-、-C(=O)-、-NH-、-NR3-、-S(O2)NH-、-S(O2)NR3-、-NHS(O2)-或-NR3S(O2)-，其中R3为C1-C3烷基。
• Derivatives of hydroxamic acid as metalloproteinase inhibitors
  申请人：Pain Gilles

  公开号：US20060281920A1

  公开（公告）日：2006-12-14

  Compounds of formula (I) are inhibitors of matrix metalloproteinases, and are of use in the treatment of, for example fibrotic disease, multiple sclerosis, emphysemia, bronchitis and asthma: formula (I) wherein Ar represents an optionally substituted aryl, heteroaryl, C 3 -C 8 cycloalkyl or heterocycloakyl group; R represents hydrogen or C 1 -C 6 alkyl, or C 3 -C 6 cycloalkyl; Alk represents a divalent C 1 -C 5 alkylene or C 2 -C 5 alkenylene radical; and R 1 and R 2 taken together with the nitrogen atom to which they are attached form a first heterocycloalkyl ring which is optionally fused to a second C 3 -C 8 cycloalkyl or heterocycloalkyl ring, the said first and second rings being optionally substituted by at least one group of formula (II): formula (II) wherein m, p and n are independently 0 or 1; Z represents, hydrogen, or an optionally substituted carbocyclic or heterocyclic ring of from 5 to 7 ring atoms which is optionally fused to another optionally substituted carbocyclic or heterocyclic ring of from 5 to 7 ring atoms; Alk 1 and Alk 2 independently represent optionally substituted divalent C 1 -C 3 alkylene radicals; X represents —0—, —S—, —S(O)—, —S(O 2 )—, —C(═O)—, —NH—, —NR 3 —, —S(O 2 )NH—, —S(O 2 )NR 3 —, —NHS(O 2 )—, or —NR 3 S(O 2 )—, where R 3 is C 1 -C 3 alkyl.

  公式（I）的化合物是基质金属蛋白酶抑制剂，可用于治疗纤维化疾病、多发性硬化症、肺气肿、支气管炎和哮喘等疾病：公式（I）其中，Ar代表可选取代的芳基、杂芳基、C3-C8环烷基或杂环烷基；R代表氢或C1-C6烷基，或C3-C6环烷基；Alk代表二价的C1-C5烷基或C2-C5烯基基团；R1和R2与它们所连接的氮原子一起形成第一杂环烷基环，该环可选地融合到第二个C3-C8环烷基或杂环烷基环上，所述第一和第二环可选地被至少一个公式（II）的基团取代：公式（II）其中，m、p和n独立地为0或1；Z代表氢，或由5至7个环原子组成的可选取代的碳环或杂环，该环可选地与另一个由5至7个环原子组成的可选取代的碳环或杂环融合；Alk1和Alk2独立地代表可选取代的二价C1-C3烷基基团；X代表—O—、—S—、—S(O)—、—S(O2)—、—C(═O)—、—NH—、—NR3—、—S(O2)NH—、—S(O2)NR3—、—NHS(O2)—或—NR3S(O2)—，其中R3为C1-C3烷基。
• Derivatives Of Hydroxamic Acid As Metalloproteinase Inhibitors
  申请人：Pain Gilles

  公开号：US20100280018A1

  公开（公告）日：2010-11-04

  A compound of formula (I), or an enantiomer or diastereoisomer thereof, or a salt, hydrate or solvate thereof: for the treatment or prophylaxis of arthritis in mammals.

  公式(I)的化合物，或其对映体或二对映体，或其盐、水合物或溶剂化物：用于哺乳动物的关节炎治疗或预防。
• DERIVATIVES OF HYDROXAMIC ACID AS METALLOPROTEINASE INHIBITORS
  申请人：Vernalis (R&D) Limited

  公开号：EP1660471B1

  公开（公告）日：2011-05-04
• JP2007503422A
  申请人：——

  公开号：JP2007503422A

  公开（公告）日：2007-02-22