(Z)-2-(3-Nitrobenzylidene)-3-oxobutanoic acid | 1824037-63-9

• 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: (Z)-2-(3-Nitrobenzylidene)-3-oxobutanoic acid
• 英文别名: (2Z)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid
• CAS: 1824037-63-9
• 化学式: C11H9NO5
• 分子量: 235.19
• InChiKey: QXLGUWJCTSGSDB-POHAHGRESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• NOVEL 1,4-DIHIDROPYRIDINE-3,5-DICARBOXYLATE DERIVATIVES
  申请人：KOWA CO. LTD.

  公开号：EP0190364A1

  公开（公告）日：1986-08-13

  1,4-Dihydropyridine-3,5-dicarboxylate derivatives represented by general formula (I) (wherein R represents an imidazolyl group or a pyridyl group, R1 represents a hydrogen atom, a halogen atom, a nitro group or a trifluoromethyl group, R2 represents a lower alkyl group, X represents CH or N, A represents a lower alkylene group, a compound of formula (II) (wherein B represents a lower alkylene group or an 0-lower alkylene group), a compound of formula (III) (wherein R4 represents a hydrogen atom or a lower alkyl group) or a compound of formula (IV), m represents a number of 1 to 3, and n represents a number of 1 or 2. They have effects of vasodilation, increasing blood stream, inhibition of platelet coagulation, and inhibition of production of thromboxan A2, and are useful as drugs such as vasodilators, hypotensives, anti-thrombotic drugs, arterial sclerosis-preventing agents, etc.

  通式(I)代表的 1,4-二氢吡啶-3,5-二甲酸酯衍生物（其中 R 代表咪唑基团或吡啶基团，R1 代表氢原子、卤素原子、硝基或三氟甲基，R2 代表低级烷基，X 代表 CH 或 N，A 代表低级亚烷基、式（II）化合物（其中 B 代表低级亚烷基或 0-低级亚烷基）、式（III）化合物（其中 R4 代表氢原子或低级亚烷基）或式（IV）化合物，m 代表 1 至 3 的数字，n 代表 1 或 2 的数字。它们具有扩张血管、增加血流量、抑制血小板凝结和抑制血栓素 A2 生成的作用，可用作血管扩张剂、降血压药、抗血栓药、动脉硬化预防剂等药物。
• 5-Carboxy-1,4-dihydropyrimidine derivatives
  申请人：E.R. Squibb & Sons, Inc.

  公开号：EP0202654A2

  公开（公告）日：1986-11-26

  Described are 5-carboxy-1,4-dihydropyrimidine derivatives of the formula wherein X is sulfur or oxygen and R4 is aryl or heterocyclo and disclosed. These compounds are useful as cardiovacular agents, particularly anti-hypertensive agents, due to their vasodilator activity.

  所描述的是 5-羧基-1,4-二氢嘧啶衍生物，其式为 其中 X 为硫或氧，R4 为芳基或杂环。这些化合物由于具有血管扩张活性，可用作心血管药物，特别是抗高血压药物。
• 2-Thio or oxo-4-aryl or heterocyclo-1,5(2H)-pyrimidinedicarboxylic acid diesters and 3-acyl-5-pyrimidinecarboxylic acids and esters
  申请人：E.R. Squibb & Sons, Inc.

  公开号：EP0204317A2

  公开（公告）日：1986-12-10

  Pyrimidine compounds of the formula wherein X is sulfur or oxygen, Y is R11 or-O-R1, and R4 is aryl or heterocyclo are disclosed. These compounds are useful as cardiovascular agents, particularly anti-hypertensive agents, due to their calcium entry blocking vasodilator activity.

  本发明公开了式中 X 为硫或氧，Y 为 R11 或-O-R1，R4 为芳基或杂环的嘧啶化合物。这些化合物具有钙离子进入阻断血管扩张的活性，可用作心血管药物，特别是抗高血压药物。
• 1,5-Benzothiazepine compounds
  申请人：E.R. Squibb & Sons, Inc.

  公开号：EP0208964A2

  公开（公告）日：1987-01-21

  Compounds of formula wherein X is S or SO2, R4 is aryl or hetero, and R1 is hydrogen or are disclosed. These compounds are useful as cardiovascular agents and especially as anti-hypertensive agents.

  式化合物 其中 X 是 S 或 SO2，R4 是芳基或杂基，R1 是氢或 的化合物。这些化合物可用作心血管药物，特别是抗高血压药物。
• 1,2,3,4-tetrahydro-6-substituted-4-aryl(or heterocyclo)-3-substituted-2-thioxo (or oxo)-5-pyrimidinecarboxylic acids and esters
  申请人：E.R. Squibb & Sons, Inc.

  公开号：EP0236902A1

  公开（公告）日：1987-09-16

  Cardiovascular activity is exhibited by compounds having the formula and pharmaceutically acceptable salts thereof wherein X is oxygen or sulfur; R1 is alkyl, cycloalkyl, alkenyl, alkynyl, aryl - (CH2)n-Y2, -(CH2)p-Y3, halo substituted R2 is hydrogen, alkyl, alkenyl, alkynyl, cycloalkyl, aryl, -(CH2)n-Y1, or halo substituted alkyl; R3 is hydrogen, alkyl, cycloalkyl, aryl, heterocyclo, -(CH2)nC-Y2, -(CH2)p-Y3, or halo substituted alkyl; R4 is aryl or heterocyclo; Y1 is cycloalkyl, aryl, heterocyclo, hydroxyl, alkoxy, aryl-(CH2)m-O-, mercapto, alkylthio, aryl-(CH2)m-S-, amino, substituted amino, carbamoyl, (substituted amino heterocyclo-(CH2), carboxyl, alkoxycarbonyl, Y2 is cycloalkyl, aryl, heterocyclo, carbamoyl (substituted amino] carboxyl, alkoxycarbonyl, alky - or heterocyclo-(CH2)m Y3 is hydroxyl, alkoxy, aryl-(CH2)m-O-, mercapto, alkylthio, aryl-(CH2)m-S-, amino, or substituted amino; Y4 is alkyl, cycloalkyl, aryl, heterocyclo, -(CH2)n-Y1 or halo substituted alkyl; m is O or an integer of 1 to 6; n is an integer of 1 to 6; and p is an integer of 2 to 6.

  具有以下式子的化合物具有心血管活性 及其药学上可接受的盐类，其中 X 为氧或硫； R1 为烷基、环烷基、烯基、炔基、芳基-(CH2)n-Y2、-( )p-Y3、卤代 R2 是氢、烷基、烯基、炔基、环烷基、芳基、-( )n-Y1 或卤代烷基； R3 是氢、烷基、环烷基、芳基、杂环基、-( )nC-Y2、-( )p-Y3 或卤代烷基； R4 是芳基或杂环； Y1 是环烷基、芳基、杂环基、羟基、烷氧基、芳基-( )m-O-、巯基、烷硫基、芳基-( )m-S-、氨基、取代的氨基、氨基甲酰基、（取代的氨基 杂环-( )、 羧基、烷氧羰基、 Y2 是环烷基、芳基、杂环基、氨基甲酰基（取代的氨基］ 羧基、烷氧羰基、烷基 - 或杂环-( )m Y3 是羟基、烷氧基、芳基-( )m-O-、巯基、烷硫基、芳基-( )m-S-、 氨基或取代氨基； Y4 是烷基、环烷基、芳基、杂环基、-( )n-Y1 或卤代烷基； m 是 O 或 1 至 6 的整数； n 是 1 至 6 的整数；以及 p 是 2 至 6 的整数。