2-(3-Acetylamino-4-cyclohexyl-phenyl)-succinic acid diethyl ester | 38913-20-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(3-Acetylamino-4-cyclohexyl-phenyl)-succinic acid diethyl ester
• 英文别名: Diethyl 2-(3-acetamido-4-cyclohexylphenyl)butanedioate
• CAS: 38913-20-1
• 化学式: C₂₂H₃₁NO₅
• 分子量: 389.492
• InChiKey: YDUNIBAYGXZDJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  28
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  81.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(3-Acetylamino-4-cyclohexyl-phenyl)-succinic acid diethyl ester 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 (3-Acetamido-4-cyclohexylphenyl)-bernsteinsaeure
  参考文献：
  名称：

  5-取代-1-茚满羧酸作为潜在的抗炎药。

  摘要：

  DOI：

  10.1021/jm00279a014

文献信息

• MATRIX METALLOPROTEINASE INHIBITORS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1654218A2

  公开（公告）日：2006-05-10
• JP2007502259A
  申请人：——

  公开号：JP2007502259A

  公开（公告）日：2007-02-08
• [EN] MATRIX METALLOPROTEINASE INHIBITORS<br/>[FR] INHIBITEURS DE MÉTALLOPROTÉINASE MATRICIELLE
  申请人：GLAXO GROUP LTD

  公开号：WO2005016868A2

  公开（公告）日：2005-02-24

  Compounds of Formula (I), wherein R1 represents optionally substituted -C4-12 alkyl, -C2-10alkylcycloalkyl, -C2-6 alkyl heterocycloalkyl, -C2-6alkylaryl, optionally substituted 5- or 6- membered aryl or heteroaryl, except pyridinyl. Z represents a bond, CH2, O, S, SO, SO2, NR4, OCR4R5, CR4R5O, or Z, R1 and Q together form an optionally substituted fused tricyclic group; Q represents an optionally substituted 5- or 6- membered aryl or heteroaryl ring; X represents COR3; R2 represents CONH2, CO2H, CO2R7, SO2R7 or SO2NR8R9, except that R2; may not represent CO2R7 when X is CONH2 ; R3 represents OR6, or NR8R9; R4 and R5 each independently represents H, C1-6 alkyl or C1-4 alkylaryl; R6 represents H or C1-6 alkyl; R7 represents C1-6 alkyl; R8 and R9 each independently represents H or C1-6 alkyl or R8 and R9 together with the nitrogen atom to which they are attached form a 5- or 6- membered ring which may optionally include 1 or more further heteroatoms selected from O, S and N; and physiologically functional derivatives thereof with the exception of [3-(acetylamino)-4-cyclohexylphenyl]-butanedioic acid and 3-(acetylamino)-4-cyclohexylphenyl]-butanedioic acid diethyl ether; butanedioic acid [3-methoxy-4-(phenylmethoxy)phenyl]; butanedioic acid [4-(phenylmethoxy)phenyl]; with the proviso that when R1 represents C4-12 alkyl, Z is other than a bond, O or CH2; and physiologically functional derivatives thereof , processes for their preparation, pharmaceutical formulations containing them and their use as inhibitors of matrix metallproteinase enzymes (MMPs) are described.