ethyl 4-bromo-4-cyanobutyrate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 4-bromo-4-cyanobutyrate
• 英文别名: Ethyl 4-bromo-4-cyanobutanoate
• 化学式: C₇H₁₀BrNO₂
• 分子量: 220.066
• InChiKey: OSLJYLDKZWQJCI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4,4'-二甲氧基二苯甲酮 、 ethyl 4-bromo-4-cyanobutyrate 生成 ethyl 4-cyano-5,5-bis(4-methoxyphenyl)-4-pentenoate
  参考文献：
  名称：

  Diphenyl-methane compounds useful in the treatment of diseases caused by

  摘要：

  一种新的二苯甲烷衍生物可用于抑制血液凝聚，其化学式包括二苯乙烯衍生物和苯甲酮肟醚衍生物。其中R1和R2分别为氢、羟基或较低的烷氧基，U为.dbd.CXY或.dbd.N-O-W，X为氢、氰基或-COR6，R6为羟基或氨基，Y为-R10-COOR3，R3为氢或较低的烷氧基，R10为1到3个碳原子的直链或支链烷基，-CO-NR4R5，R4和R5分别为氢、较低的烷基或较低的芳基烷基，-CH2-NHSO2-C6H5或-C(R8).dbd.NR7，R7为较低的烷氧基或芳基，R8为-VR9，V为氧、硫或氮，R9为烷基或芳基，W为-CH2-CO-CH2-COOR13，R13为氢或较低的烷基，-CH2-C(C.dbd.NOR14)-CH2-COOR15，R15为氢或较低的烷基，R14为较低的烷基，-CH(CN)-(CH2)q-COOR16，R16为氢或较低的烷基，q为1到3的整数，或-(CH2)p-Z，Z为-SH、SCN或由五元或六元环衍生的一价基团，该环可能被一个或多个硫原子取代，p为1或2。

  公开号：

  US04886834A1

文献信息

• Diphenyl-methane compounds useful in the treatment of diseases caused by
  申请人：Eisai Co., Ltd.

  公开号：US04886834A1

  公开（公告）日：1989-12-12

  A new diphenyl-methane derivative is useful to inhibit agglomeration of blood and is defined by the formula, including a diphenylethylene derivative and a benzophenone oxime ether derivative. ##STR1## in which R1 and R2 each are hydrogen, hydroxyl or a lower alkoxy, U is .dbd.CXY or .dbd.N--O--W, X is hydrogen, cyano or --COR6, R6 being hydroxyl or an amino, Y is --R10--COOR3, R3 being hydrogen or a lower alkoxy, R10 being an alkylene having 1 to 3 carbon atoms, straight or branched, --CO--NR4R5, R4 and R5 each being hydrogen, a lower alkyl or a lower arylalkyl, --CH2--NHSO2--C6H5 or --C(R8).dbd.NR7, R7 being a lower alkoxy or an aryl, R8 is --VR9, V being oxygen, sulfur or nitrogen, R9 being an alkyl or an aryl, W is --CH2--CO--CH2--COOR13, R13 being hydrogen or a lower alkyl, --CH2--C(C.dbd.NOR14)--CH2--COOR15, R15 being hydrogen or a lower alkyl, R14 being a lower alkyl, --CH(CN)--(CH2)q--COOR16, R16 being hydrogen or a lower alkyl, q being an integer of 1 to 3, or --(CH2)p--Z, Z being --SH, --SCN or a monovalent group derived from a five- or six-membered ring which may be substituted by a ring having one or more sulfur atoms in the ring, p being 1 or 2.

  一种新的二苯甲烷衍生物，用于抑制血液凝聚，其定义由以下化学式确定，包括二苯乙烯衍生物和苯甲酮肟醚衍生物。其中R1和R2分别为氢、羟基或较低的烷氧基，U为.dbd.CXY或.dbd.N--O--W，X为氢、氰基或--COR6，R6为羟基或氨基，Y为--R10--COOR3，R3为氢或较低的烷氧基，R10为1至3个碳原子的直链或支链烷基，--CO--NR4R5，R4和R5分别为氢、较低的烷基或较低的芳基烷基，--CH2--NHSO2--C6H5或--C(R8).dbd.NR7，R7为较低的烷氧基或芳基，R8为--VR9，V为氧、硫或氮，R9为烷基或芳基，W为--CH2--CO--CH2--COOR13，R13为氢或较低的烷基，--CH2--C(C.dbd.NOR14)--CH2--COOR15，R15为氢或较低的烷基，R14为较低的烷基，--CH(CN)--(CH2)q--COOR16，R16为氢或较低的烷基，q为1至3的整数，或--(CH2)p--Z，Z为--SH、--SCN或由五元或六元环衍生的一价基团，该环可能被一个或多个硫原子取代，p为1或2。
• Benzophenone oxime derivatives, pharmaceutical compositions and use
  申请人：Eisai Co., Ltd.

  公开号：EP0478001A1

  公开（公告）日：1992-04-01

  A new diphenyl-methane derivative is useful to inhibit agglomeration of blood and is defined by the formula, including a diphenylethylene derivative and a benzophenone oxime ether derivative. in which R1 and R2 each are hydrogen, hydroxyl or a lower alkoxy, U is = CXY or = N-O-W, X is hydrogen, cyano or -COR6, R6 being hydroxyl or an amino, Y is -R10-COOR3, R3 being hydrogen or a lower alkoxy, R10 being an alkylene having 1 to 3 carbon atoms, straight or branched, -CO-NR4R5, R4 and R5 each being hydrogen, a lower alkyl or a lower arylalkyl, -CH2-NHS02-C6H5 or -C(R8)-= NR7, R7 being a lower alkoxy or an aryl, R8 is -VR9, V being oxygen, sulfur or nitrogen, R9 being an alkyl or an aryl, W is -CH2-CO-CH2-COOR13, R13 being hydrogen or a lower alkyl, -CH2-C(=NOR14)-CH2-COOR15, R15 being hydrogen or a lower alkyl, R14 being a lower alkyl, -CH(CN)-(CH2)q-COOR16, R16 being hydrogen or a lower alkyl, q being an integer of 1 to 3, or -(CH2)p-Z, Z being -SH, -SCN or a monovalent group derived from a five- or six-membered ring which may be substituted by a ring having one or more sulfur atoms in the ring, p being 1 or 2. A pharmaceutical composition containing compounds of formula (XX) or their pharmaceutically acceptable salts as active ingredients, and the use of compounds of formula (XX) or their pharmaceutically acceptable salts in the preparation of a medicament for treatment of diseases caused by blood stream disorders are also disclosed.

  一种新的二苯基甲烷衍生物可用于抑制血液凝集，其定义式包括一种二苯基乙烯衍生物和一种二苯甲酮肟醚衍生物。 其中 R1 和 R2 各为氢、羟基或低级烷氧基，U 为＝CXY 或＝N-O-W、 X是氢、氰基或-COR6，R6是羟基或氨基，Y是-R10-COR3，R3是氢或低级烷氧基，R10是具有 1 至 3 个碳原子的直链或支链亚烷基，-CO-NR4R5、R4和R5各自为氢、低级烷基或低级芳烷基，-CH2-NHS02-C6H5或-C(R8)-= NR7，R7为低级烷氧基或芳基，R8为-VR9，V为氧、硫或氮，R9为烷基或芳基、 W 是-CH2-CO-CH2-COOR13，R13 是氢或低级烷基，-CH2-C(=NOR14)-CH2-COOR15，R15 是氢或低级烷基，R14 是低级烷基，-CH(CN)-(CH2)q-COOR16，R16 是氢或低级烷基、q为 1 至 3 的整数，或-(CH2)p-Z，Z 为-SH、-SCN 或由五元环或六元环衍生的一价基团，该五元环或六元环可被环中具有一个或多个硫原子的环取代，p 为 1 或 2。 本发明还公开了一种含有式（XX）化合物或其药学上可接受的盐作为活性成分的药物组合物，以及式（XX）化合物或其药学上可接受的盐在制备治疗由血流紊乱引起的疾病的药物中的用途。
• Diphenyl-methane derivative, pharmaceutical composition and use
  申请人：Eisai Co., Ltd.

  公开号：EP0238973B1

  公开（公告）日：1992-12-02
• US4886834A
  申请人：——

  公开号：US4886834A

  公开（公告）日：1989-12-12
• US4954523A
  申请人：——

  公开号：US4954523A

  公开（公告）日：1990-09-04