4-(benzyloxy)-2-[4-(isopentyloxy)phenyl]-4-oxobutanoic acid | 845786-08-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 4-(benzyloxy)-2-[4-(isopentyloxy)phenyl]-4-oxobutanoic acid
• 英文别名: 2-[4-(3-methylbutoxy)phenyl]-4-oxo-4-phenylmethoxybutanoic acid
• CAS: 845786-08-5
• 化学式: C₂₂H₂₆O₅
• 分子量: 370.445
• InChiKey: IDDGRTUPUVCNSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  27
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-benzyl 1-tert-butyl 2-[4-(isopentyloxy)phenyl]succinate 在 silica gel 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以82%的产率得到4-(benzyloxy)-2-[4-(isopentyloxy)phenyl]-4-oxobutanoic acid
  参考文献：
  名称：

  [EN] MATRIX METALLOPROTEINASE INHIBITORS
  [FR] INHIBITEURS DE MÉTALLOPROTÉINASE MATRICIELLE

  摘要：

  公开号：

  WO2005016868A3

文献信息

• Matrix metalloproteinase inhibitors
  申请人：Holmes Ian

  公开号：US20060235074A1

  公开（公告）日：2006-10-19

  Compounds of Formula (I): wherein: R 1 is optionally substituted —C 4-12 alkyl, —C 2-10 alkylcycloalkyl, —C 2-6 alkylheterocycloalkyl, —C 2-6 alkylaryl, optionally substituted 5- or 6-membered aryl or heteroaryl with the proviso that R 2 in not pyridinyl; Z is a bond, CH 2 , O, S, SO, SO 2 , NR 4 , OCR 4 R 5 or CR 4 R 5 O; or Z, R 1 and Q together form an optionally substituted fused tricyclic group; Q is an optionally substituted 5- or 6-membered aryl or heteroaryl ring; X is COR 3 ; R 2 is CONH 2 , CO 2 H, CO 2 R 7 , SO 2 R 7 or SO 2 NR 8 R 9 , with the proviso that R 2 is not CO 2 R 7 , when X is CONH 2 ; R 3 is OR 6 or NR 8 R 9 ; R 4 and R 5 each independently is H, C 1-6 alkyl or C 1-4 alkylaryl; R 6 is H or C 1-6 alkyl; R 7 is C 1-6 alkyl; and R 8 and R 9 each independently is H or C 1-6 alkyl; or R 8 and R 9 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; or physiologically functional derivatives thereof, with the proviso that formula (I) compounds are not: [3-(acetylamino)-4-cyclohexylphenyl]-butanedioic acid and 3-(acetylamino)-4-cyclohexylphenyl]-butanedioic acid diethyl ether; butanedioic acid [3-methoxy-4-(phenylmethoxy)phenyl]; or butanedioic acid [4-(phenylmethoxy)phenyl]; and with the proviso that when R 1 is C 4-12 alkyl, Z is other than a bond, O or CH 2 ; 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.

  式(I)的化合物：其中：R1是可选取代的—C4-12烷基，—C2-10烷基环烷基，—C2-6烷基杂环烷基，—C2-6烷基芳基，可选取代的5-或6-成员芳基或杂芳基，但R2不是吡啶基；Z是键，CH2，O，S，SO，SO2，NR4，OCR4R5或CR4R5O；或Z，R1和Q一起形成可选取代的融合三环基团；Q是可选取代的5-或6-成员芳基或杂芳基环；X是COR3；R2是CONH2，CO2H，CO2R7，SO2R7或SO2NR8R9，但当X是CONH2时，R2不是CO2R7；R3是OR6或NR8R9；R4和R5各自独立地是H，C1-6烷基或C1-4烷基芳基；R6是H或C1-6烷基；R7是C1-6烷基；R8和R9各自独立地是H或C1-6烷基；或R8和R9与它们所附着的氮原子一起形成一个可选取代的5-或6-成员环，该环可能包括1个或多个进一步选择的杂原子，包括O、S和N；或其生理学功能衍生物，但式(I)化合物不包括：[3-(乙酰氨基)-4-环己基苯基]-丁二酸和[3-(乙酰氨基)-4-环己基苯基]-丁二酸二乙醚；丁二酸[3-甲氧基-4-(苯基甲氧基)苯基]；或丁二酸[4-(苯基甲氧基)苯基]；以及其制备方法，含有它们的制药配方和作为基质金属蛋白酶酶（MMPs）抑制剂的用途。
• US7476759B2
  申请人：——

  公开号：US7476759B2

  公开（公告）日：2009-01-13