[2-[1-[4-[[4-[(4-Chlorobenzoyl)amino]benzoyl]amino]butyl]piperidin-4-yl]-5,6,7,8-tetrahydronaphthalen-1-yl] diethyl phosphate

• 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-[1-[4-[[4-[(4-Chlorobenzoyl)amino]benzoyl]amino]butyl]piperidin-4-yl]-5,6,7,8-tetrahydronaphthalen-1-yl] diethyl phosphate
• 化学式: C₃₇H₄₇ClN₃O₆P
• 分子量: 696.2
• InChiKey: RWOQIBXQABYPOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  48
• 可旋转键数：
  15
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• Aryl piperidine derivatives as inducers of ldl-receptor expression
  申请人：——

  公开号：US20040072865A1

  公开（公告）日：2004-04-15

  The invention concerns a compound of formula (I), wherein Ar 1 represents phenyl, naphthyl or phenyl fused by a C 3-8 cycloalkyl, where each group is substituted by a group —O-Z and optionally one to three further groups independently represented by R 1 ; Ar 2 represents phenyl or 5-6 membered heteroaromatic group, where each group is optionally substituted by one to four groups independently selected from halogen, C 1-4 alkyl and C 1-4 alkoxy; Ar 3 represents a phenyl or a 5-6 membered heteroaromatic group, where each group is optionally substituted by one to four groups independently selected from hydroxy, alkyl, C 1-4 alkoxy, C 2-4 alkenyl, C 2-4 alkenyloxy, C 1-4 perfluoroalkoxy, C 1-4 acylamino or an electron withdrawing group; A represents —C(H)—; E represents —C 1-6 alkylene-; X represents —CON(H or C 1-4 alkyl)- or —N(H or C 1-4 alkyl)CO—; Y represents a direct link, —N(H or C 1-4 alkyl)CO— or —CON(H or C 1-4 alkyl)-; Z represents a metabolically labile group; R 1 represents halogen, —S(C 1-4 alkyl), —O—(C 0-4 alkylene)-R 2 or —(C 0-4 alkylene)-R 2 , where each alkylene group may additionally incorporate an oxygen in the chain, with the proviso that there are at least two carbon atoms between any chain heteroatoms; R 2 represents: i) hydrogen, C 1-4 perfluoroalkyl, C 2-3 alkenyl, ii) phenyl, naphthyl, a 5- or 6-membered heteroaromatic group or 1,2,3,4-tetrahydronaphthyl, optionally substituted by one or two halogen, hydroxy, C 1-4 alkyl, C 1-4 alkoxy groups, iii) C 3-8 cycloalkyl, a 3-7 membered heterocycloalkyl, iv) amino, C 1-4 alkylamino or di-C 1-4 alkylamino, with the proviso that there are at least two carbon atoms between any chain heteroatoms; and physiologically acceptable salts, solvates and pharmaceutical compositions thereof and their use in treating disorders associated with elevated circulating levels of LDL-cholesterol.

  本发明涉及公式（I）的化合物，其中Ar1代表苯基，萘基或被C3-8环烷基融合的苯基，其中每个基都被-O-Z基取代，且可以有一到三个进一步独立表示为R1的基；Ar2代表苯基或5-6成员杂环芳基，其中每个基可选地被从卤素，C1-4烷基和C1-4烷氧基中独立选择的一到四个基取代；Ar3代表苯基或5-6成员杂环芳基，其中每个基可选地被从羟基，烷基，C1-4烷氧基，C2-4烯基，C2-4烯氧基，C1-4全氟烷氧基，C1-4酰胺基或电子提取基中独立选择的一到四个基取代；A代表-C（H）-；E代表-C1-6烷基-；X代表-CON（H或C1-4烷基）-或-N（H或C1-4烷基）CO-；Y代表直接连接，-N（H或C1-4烷基）CO-或-CON（H或C1-4烷基）-；Z代表代谢易变基团；R1代表卤素，-S（C1-4烷基），-O-（C0-4烷基）-R2或-（C0-4烷基）-R2，其中每个烷基组可能在链中还包括一个氧，但前提是在任何链杂原子之间至少有两个碳原子；R2代表：i）氢，C1-4全氟烷基，C2-3烯基，ii）苯基，萘基，5-或6-成员杂环芳基或1,2,3,4-四氢萘基，可选地被一到两个卤素，羟基，C1-4烷基，C1-4烷氧基取代，iii）C3-8环烷基，3-7成员杂环环烷基，iv）氨基，C1-4烷基氨基或双C1-4烷基氨基，但前提是在任何链杂原子之间至少有两个碳原子；以及其生理上可接受的盐，溶剂化物和制药组合物及其用于治疗与LDL-胆固醇循环水平升高相关的疾病。