Ethyl 3-(3-nitrophenyl)-4-oxopent-2-enoate | 101616-76-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: Ethyl 3-(3-nitrophenyl)-4-oxopent-2-enoate
• CAS: 101616-76-6
• 化学式: C13H13NO5
• 分子量: 263.25
• InChiKey: YUZHLISFSYQLOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  89.2
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• Dihydroimidazo[1,2-a]pyrimidine derivatives, methods of preparing said compounds and pharmaceutical compositions constaining said compounds
  申请人：Yoshitomi Pharmaceutical Industries, Ltd.

  公开号：EP0163240A2

  公开（公告）日：1985-12-04

  A dihydroimidazo [1, 2-a] pyrimidine derivative of the formula: wherein R is hydrogen, C1-5 alkyl, heteroaryl, 2, 1, 3-benzoxadiazolyl or phenyl which may be substituted by a substituent selected from halogen, C1-4 alkyl, trifluoromethyl, C1-4 alkoxy, nitro and cyano; R' is cyano, C1-4 alkoxy-carbonyl or -COOCH (R5) CH2R6 [wherein R5 is hydrogen or aryl and R6 is C1-4 alkoxy or -N (Ra) (Rb) (wherein each of Ra and Rb is C1-4 alkyl or aralkyl, or Ra and Rb together with the adjacent nitrogen atom form a heterocycle)]; R2 is C1-4 alkyl, hydroxymethyl, acetoxymethyl, di-C1-4 alkoxy-methyl, C1-4 alkyl-carbamoyloxymethyl or hydroxyimino-methyl; R3 is C1-4 alkyl, formyl, carboxyl, nitro, -N (R7) (R8) (wherein each of R7 and RB is hydrogen, C1-8 alkyl, aryl, aralkyl or acyl, or R7 and RB together with the adjacent nitrogen atom form a heterocycle), -OR9 or -SR10 (wherein each of R9 and R10 is hydrogen, C1-8 alkyl, aralkyl or acyl); R4 is hydrogen or -(CH2)mN (Rc) (Rd) (wherein each of Rc and Rd is C1-4 alkyl or aralkyl, or Rc and Rd together with the adjacent nitrogen atom form a heterocycle and m is 1 to 3; n is 0 or 1 to 3, inclusive of an optical isomer thereof, a diastereomer thereof and compounds selected from the group consisting of pharmaceutically acceptable acid addition salt forms thereof, hydrate forms thereof and mixtures thereof, methods of preparing said compounds and pharmaceutical compositions containing said compounds are disclosed. The dihydroimidazo [1, 2-a] pyrimidine derivatives are useful as drugs for the treatment of coronary and cerebral circulatory diseases.

  式中的二氢咪唑并[1，2-a]嘧啶衍生物： 其中 R 是氢、C1-5 烷基、杂芳基、2，1，3-苯并噁二唑基或苯基，可被选自卤素、C1-4 烷基、三氟甲基、C1-4 烷氧基、硝基和氰基的取代基取代； R' 是氰基、C1-4 烷氧基-羰基或 -COOCH (R5) CH2R6 [其中 R5 是氢或芳基，R6 是 C1-4 烷氧基或 -N (Ra) (Rb)（其中 Ra 和 Rb 各自是 C1-4 烷基或芳烷基，或 Ra 和 Rb 与相邻的氮原子一起形成杂环）]； R2 是 C1-4 烷基、羟甲基、乙酰氧甲基、二 C1-4 烷氧基甲基、C1-4 烷基氨基甲酰氧甲基或羟基亚氨基甲基； R3 是 C1-4 烷基、甲酰基、羧基、硝基、-N (R7) (R8)（其中 R7 和 RB 各自是氢、C1-8 烷基、芳基、芳烷基或酰基，或 R7 和 RB 与邻近的氮原子一起构成杂环）、-OR9 或 -SR10（其中 R9 和 R10 各自是氢、C1-8 烷基、芳烷基或酰基）； R4 是氢或-(CH2)mN (Rc) (Rd)（其中每个 Rc 和 Rd 是 C1-4 烷基或芳烷基，或 Rc 和 Rd 与相邻的氮原子一起形成杂环，m 是 1 至 3； n 为 0 或 1 至 3，包括其光学异构体、非对映异构体和选自药学上可接受的其酸加成盐形式、其水合物形式和其混合物组成的组的化合物、制备所述化合物的方法和含有所述化合物的药物组合物。 二氢咪唑[1，2-a]嘧啶衍生物可作为治疗冠心病和脑循环疾病的药物。
• POLYAZAHETEROCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITION
  申请人：Yoshitomi Pharmaceutical Industries, Ltd.

  公开号：EP0183848A1

  公开（公告）日：1986-06-11

  Polyazaheterocyclic derivatives represented by the general formula (1), pharmaceutically acceptable salts thereof process for their preparation, and pharmaceutical compositions containing them. In the general formula, R represents hydrogen, lower alkyl, cycloalkyl, furyl, thienyl, pyridyl, or phenyl optionally having one to two substituents of halogen, tower alkyl, trifluoromethyl, alkoxy, aralkyloxy, alkylthio, aralkylthio, acyl, hydroxy, amino, nitro or cyano; R1 represents hydrogen, cyano, carbamoyl, carboxyl, alkoxycarbonyl having optionally one to two substituents of alkoxy, cyano, - N(Ra)(Rb) (wherein Ra and Rb each represents alkyl or aralkyl or, when taken together, represent a 5 to 7- membered heterocyclic ring), nitro, phenyl or heteroaryl, or alkanoyl; R2 represents lower alkyl, hydroxyalkyl, acetoxyalkyl, haloalkyl, dihaloalkyl, trifluoromethyl, alkoxyalkyl, di-alkoxymethyl, lower alkylcarbamoyloxyalkyl, lower alkyl-thiocarbamoyloxyalkyl, formyl, hydroxyiminomethyl or cyano; and X, Y, and Z each represents a member of ring A and each represents N or CH. These compounds possess hypotensive, coronary vasodilating, cerebrovasodilating and cardiotonic effects, and an effect of preventing peroxidation of lipid, and are useful as agents for prevention and treatment of circulatory organ diseases.

  通式(1)代表的多氮杂环衍生物、其药学上可接受的盐及其制备工艺，以及含有它们的药物组合物。通式中，R 代表氢、低级烷基、环烷基、呋喃基、噻吩基、吡啶基或苯基，可任选具有一至两个卤素、塔烷基、三氟甲基、烷氧基、芳基氧基、烷硫基、芳基硫基、酰基、羟基、氨基、硝基或氰基取代基；R1 代表氢、氰基、氨基甲酰基、羧基、烷氧基羰基（可选择具有一至两个烷氧基、氰基、-N(Ra)(Rb)取代基）（其中 Ra 和 Rb 各自代表烷基或芳烷基，或共同代表 5 至 7 位杂环）、硝基、苯基或杂芳基或烷酰基；R2 代表低级烷基、羟基烷基、乙酰氧基烷基、卤代烷基、二卤代烷基、三氟甲基、烷氧基烷基、二烷氧基甲基、低级烷基氨基甲酰氧基烷基、低级烷基-硫代氨基甲酰氧基烷基、甲酰基、羟基亚氨基甲基或氰基；以及 X、Y 和 Z 各自代表环 A 的一个成员，且各自代表 N 或 CH。这些化合物具有降血压、扩张冠状血管、扩张脑血管和强心作用，以及防止脂质过氧化的作用，可作为预防和治疗循环器官疾病的药物。
• A polyazaheterocyclic compound
  申请人：Yoshitomi Pharmaceutical Industries, Ltd.

  公开号：EP0217142A2

  公开（公告）日：1987-04-08

  A polyazaheterocycle compound of the formula: or a pharmaceutically acceptable salt thereof, wherein each symbol is as defined in the specification. Said compounds exhibit calcium antagonistic and or calcium agonistic activities

  式中的聚氮杂环化合物： 或其药学上可接受的盐，其中各符号如说明书中所定义。 所述化合物具有钙拮抗和或钙激动活性
• JPS62169793A
  申请人：——

  公开号：JPS62169793A

  公开（公告）日：1987-07-25
• US4414213A
  申请人：——

  公开号：US4414213A

  公开（公告）日：1983-11-08