phosphoric acid mono-[2-(1-{4-[(4'-cyano-biphenyl-4-carbonyl)-amino]-butyl}-piperidin-4-yl)-5-methyl-phenyl]ester | 443150-52-5

• 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: phosphoric acid mono-[2-(1-{4-[(4'-cyano-biphenyl-4-carbonyl)-amino]-butyl}-piperidin-4-yl)-5-methyl-phenyl]ester
• 英文别名: [2-[1-[4-[[4-(4-cyanophenyl)benzoyl]amino]butyl]piperidin-4-yl]-5-methylphenyl] dihydrogen phosphate
• CAS: 443150-52-5
• 化学式: C₃₀H₃₄N₃O₅P
• 分子量: 547.591
• InChiKey: YUJNHECDJMANEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  39
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  123
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  Phosphoric Acid 2-(1-{4-[(4'-cyano-biphenyl carbonyl)-amino]-butyl}-piperidin-4-yl)-5-methyl-phenyl Ester Diethyl Ester 、 三甲基溴硅烷 、 吡啶 、 水 、 乙醚 在 二氯甲烷 、 Sodium sulfate-III 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 phosphoric acid mono-[2-(1-{4-[(4'-cyano-biphenyl-4-carbonyl)-amino]-butyl}-piperidin-4-yl)-5-methyl-phenyl]ester
  参考文献：
  名称：

  Aryl piperidine derivatives as inducers of ldl-receptor expression

  摘要：

  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。

  公开号：

  US20040072865A1

文献信息

• ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION
  申请人：GLAXO GROUP LIMITED

  公开号：EP1351935A1

  公开（公告）日：2003-10-15
• [EN] ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION<br/>[FR] DERIVES ARYLE DE PIPERIDINE COMME INDUCTEURS DE L'EXPRESSION DU RECEPTEUR LDL
  申请人：GLAXO GROUP LTD

  公开号：WO2002055495A1

  公开（公告）日：2002-07-18

  The invention concerns a compound of formula (I), wherein Ar1 represents phenyl, naphthyl or phenyl fused by a C3-8cycloalkyl, where each group is substituted by a group -O-Z and optionally one to three further groups independently represented by R1; Ar2 represents phenyl or 5-6 membered heteroaromatic group, where each group is optionally substituted by one to four groups independently selected from halogen, C1-4 alkyl and C1-4 alkoxy; Ar3 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, C1-4 alkoxy, C2-4 alkenyl, C2-4 alkenyloxy, C1-4 perfluoroalkoxy, C1-4 acylamino or an electron withdrawing group; A represents -C(H)-; E represents -C1-6 alkylene-; X represents -CON(H or C1-4alkyl)- or -N(H or C1-4alkyl)CO-;Y represents a direct link, -N(H or C1-4alkyl)CO- or -CON(H or C1-4alkyl)-; Z represents a metabolically labile group; R1 represents halogen, -S(C¿1-4?alkyl)-, -O-(C0-4 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; R2 represents: i) hydrogen, C¿1-4? perfluoroalkyl, C2-3alkenyl, ii) phenyl, naphthyl, a 5- or 6-membered heteroaromatic group or 1,2,3,4-tetrahydronaphthyl, optionally substituted by one or two halogen, hydroxy, C1-4 alkyl, C1-4 alkoxy groups, iii) C3-8cycloalkyl, a 3-7 membered heterocycloalkyl, iv) amino, C1-4 alkylamino or di-C1-4alkylamino, 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.