ethyl 3-(4'-aminophenoxy)benzoate

• 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: ethyl 3-(4'-aminophenoxy)benzoate
• 英文别名: Ethyl 3-(4-aminophenoxy)benzoate
• 化学式: C₁₅H₁₅NO₃
• 分子量: 257.289
• InChiKey: LJJUVWCECYZMMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  61.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-羟基苯甲酸乙酯 在 palladium on activated charcoal potassium carbonate 、 一水合肼 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 13.0h， 生成 ethyl 3-(4'-aminophenoxy)benzoate
  参考文献：
  名称：

  Consiglio, G. A.; Failla, S.; Finocchiaro, P., Phosphorus, Sulfur and Silicon and the Related Elements, 2000, vol. 165, # 1, p. 7 - 16

  摘要：

  DOI：

文献信息

• Substituted quinolines as antitumor agents
  申请人：Boyle Thomas Francis

  公开号：US20070021407A1

  公开（公告）日：2007-01-25

  The invention provides a compound of Formula (Ia), or a pharmaceutically acceptable salt, pro-drug or solvate thereof. wherein: n is 0 or 1; Y is selected from —NH—, —O—, —S—, or —NR 7 — where R 7 is alkyl of 1-6 carbon atoms; R 5 is cyano, fluoro, chloro or bromo; R 6 is cycloalkyl of 3 to 7 carbon atoms, which may be optionally substituted with one or more alkyl of 1 to 6 carbon atom groups; or is a pyridinyl, pyrimidinyl, or phenyl ring; wherein the pyridinyl, pyrimidinyl, or phenyl ring may be optionally mono- di-, or tri-substituted; or R 6 is a group —R 8 —X—R 9 where R 8 is a divalent cycloalkyl of 3 to 7 carbon atoms, which may be optionally further substituted with one or more alkyl of 1 to 6 carbon atom groups; or is a divalent pyridinyl, pyimidinyl, or phenyl ring; wherein the pyridinyl, pyrimidinyl, or phenyl ring may be optionally further substituted with one or more groups; and where X is selected from —NH—, —O—, —S—, CH 2 or —NR 7′ — where R 7′ is alkyl of 1-6 carbon atoms, and R 9 is a group (CH 2 ) m R 10 where m is 0, or an integer of from 1-3 and R 10 is an optionally substituted aryl or optionally substituted cycloalkyl ring of up to 10 carbon atoms, or R 10 is a optionally substituted heterocyclic ring or an N-oxide of any nitrogen containing ring; R 1 , R 2 , R 4 are independently selected from hydrogen, hydroxy, halogeno, cyano, nitro, trifluoromethyl, C 1-3 alkyl, —NR 11 R 12 — (wherein R 11 and R 12 , which may be the same or different each represents hydrogen, or C 1-3 alkyl), or a group R 13 —X 1 —(CH 2 ) x wherein x is 0 or an integer of from 1 to 3, X 1 represents a direct bond, —O—, —CH 2 —, —OC(O)—, —C(O)—, —S—, —SO—, —SO 2 —, —NR 14 C(O)—, —NR 14 C(O)O—, —C(O)NR 15 —, —C(O)ONR 15 —, —SO 2 NR 16 —, —NR 17 SO 2 — —NR 18 — or —NR 18 NR 18 — (wherein R 14 , R 15 , R 16 , R 17 and R 18 each independently represents hydrogen, C 1-3 alkyl or C 1-3 alkoxyC 2-3 alkyl)), and R 13 is hydrogen, optionally substituted hydrocarbyl, or optionally substituted heterocyclyl; and R 3 is selected from (i) a group of formula —X 1 —R x —(OH) p where X 1 is as defined above, R x is an alkylene, alkenylene or alkynylene chain, optionally interposed with a heteroatom or a heteocyclic ring and p is 1 or 2; (ii) a group of formula R 13a —(CH 2 ) y —X 1 —(CH 2 ) x where R 13 a is as defined for R 13 above, and X 1 and x are as defined above, y is 0 or an integer between 1 and 5, wherein (CH 2 ) y is optionally interposed by an X 1 group; (iii) a group of formula —X 1 —R y —NR z —R y′ —S—R y″ where X 1 is as defined above, R y , R y′ and R y″ are independently selected from alkyl, alkenyl or alkynyl chains, and R z is hydrogen or alkyl, or R z and R y″ are joined together to form an optionally substituted nitrogen and sulphur containing ring; (iv) a group of formula —X 1 —R x′ —(C 3-6 cycloalkyl) where X 1 is as defined above and R x′ is an alkylene, alkenylene or alkynylene chain, optionally interposed with a heteroatom a group of the formula —X 1 —C 1-5 alkyl where X 1 is as defined above and C 1-5 alkyl is substituted by one more substituents independently selected from chloro and cyano; (v) a group of the formula —X 1 —C 1-3 alkyl-CO—NR 18 NR 18 —R 20 where R 18 is as defined above and R 20 is selected from hydrogen or C 1-5 alkoxycarbonyl; or (vi) a heterocyclic ring. The invention also provides a process for the preparation of a compound of Formula (Ia), pharmaceutical compositions of a compound of Formula (Ia) and methods for the treatment or prevention of cancer comprising administering an effective amount of a compound of Formula (1a).

  本发明提供了公式（Ia）的化合物，或其药学上可接受的盐，前药或溶剂化物。其中：n为0或1；Y选自—NH—，—O—，—S—或—NR7—，其中R7为1-6个碳原子的烷基；R5为氰基，氟基，氯基或溴基；R6为3-7个碳原子的环烷基，可以选择地用1-6个碳原子的烷基取代；或为吡啶基，嘧啶基或苯基环；其中吡啶基，嘧啶基或苯基环可以选择性地单取代，二取代或三取代；或R6为—R8—X—R9的基团，其中R8为3-7个碳原子的二价环烷基，可以选择地进一步用1-6个碳原子的烷基取代；或为二价的吡啶基，嘧啶基或苯基环；其中吡啶基，嘧啶基或苯基环可以选择性地进一步用一个或多个基团取代；X选自—NH—，—O—，—S—，CH2或—NR7′—，其中R7′为1-6个碳原子的烷基，R9为(CH2)mR10的基团，其中m为0或1-3的整数，R10为最多有10个碳原子的可选择性取代芳基或可选择性取代的环烷基环，或R10为可选择性取代的杂环环或任何含氮环的N-氧化物；R1，R2，R4独立选择自氢，羟基，卤基，氰基，硝基，三氟甲基，C1-3烷基，—NR11R12—（其中R11和R12，可以相同或不同，每个表示氢或C1-3烷基），或R13—X1—（CH2）x的基团，其中x为0或1-3的整数，X1表示直接键，—O—，—CH2—，—OC（O）—，—C（O）—，—S—，—SO—，—SO2—，—NR14C（O）—，—NR14C（O）O—，—C（O）NR15—，—C（O）ONR15—，—SO2NR16—，—NR17SO2—，—NR18—或—NR18NR18—（其中R14，R15，R16，R17和R18各自独立表示氢，C1-3烷基或C1-3烷氧基C2-3烷基），R13为氢，可选择性取代的碳氢基或可选择性取代的杂环基；R3选自（i）公式—X1—Rx—（OH）p的基团，其中X1，Rx和p如上所定义；（ii）公式R13a—（CH2）y—X1—（CH2）x的基团，其中R13a如上所定义，X1和x如上所定义，y为0或1-5之间的整数，其中（CH2）y可以选择性地由X1基团插入；（iii）公式—X1—Ry—NRz—Ry′—S—Ry″的基团，其中X1，Ry，Ry′和Ry″各自独立选择自烷基，烯基或炔基链，Rz为氢或烷基，或Rz和Ry″结合形成可选择性取代的氮和硫含有环；（iv）公式—X1—Rx′—（C3-6环烷基）的基团，其中X1和Rx′如上所定义，可以选择性地插入一个杂原子；公式—X1—C1-5烷基的基团，其中X1如上所定义，C1-5烷基被一个或多个独立选择自氯和氰基的取代基取代；（v）公式—X1—C1-3烷基-CO—NR18NR18—R20的基团，其中R18和R20如上所定义；或（vi）杂环环。本发明还提供了公式（Ia）的化合物的制备方法，公式（Ia）的药物组合物以及使用公式（1a）的化合物的治疗或预防癌症的方法。
• 4-Substituted quinolines as antitumor agents
  申请人：Boyle Thomas Francis

  公开号：US20080027054A1

  公开（公告）日：2008-01-31

  The invention concerns compounds of formula (I), wherein each of R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 8 , R 9 , R 10 m, n, p, X, Y and Z have any meanings defined in the description, processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use as an anti-proliferative agent in the treatment of solid tumour disease.

  该发明涉及式(I)的化合物，其中R1、R2、R3、R4、R5、R6、R8、R9、R10、m、n、p、X、Y和Z的任何含义定义在说明中，它们的制备方法，包含它们的制药组合物，以及在制造用于治疗实体肿瘤疾病的抗增殖剂药物时使用它们的用途。
• US7253184B2
  申请人：——

  公开号：US7253184B2

  公开（公告）日：2007-08-07
• US7402583B2
  申请人：——

  公开号：US7402583B2

  公开（公告）日：2008-07-22
• US7504416B2
  申请人：——

  公开号：US7504416B2

  公开（公告）日：2009-03-17