dimethyl 4-[2-[4-[[(S)-2-hydroxy-3phenoxypropyl]amino]butoxy]-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate | 103434-30-6

• 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: dimethyl 4-[2-[4-[[(S)-2-hydroxy-3phenoxypropyl]amino]butoxy]-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• 英文别名: dimethyl 1,4-dihydro-4-{2-[4-(2-hydroxy-3-phenoxypropylamino)butoxy]-5-nitrophenyl}-2,6-dimethylpyridine-3,5-dicarboxylate；dimethyl 4-[2-[4-(2-hydroxy-3-phenoxypropylamino)butoxy]-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate；3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-((2-hydroxy-3-phenoxypropyl)amino)butoxy)-5-nitrophenyl)-2,6-dimethyl-, dimethyl ester；dimethyl 4-[2-[4-[(2-hydroxy-3-phenoxypropyl)amino]butoxy]-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• CAS: 103434-30-6
• 化学式: C₃₀H₃₇N₃O₉
• 分子量: 583.638
• InChiKey: GQJFGCIETONRNJ-UHFFFAOYSA-N

物化性质

• 熔点：
  131-133 °C
• 沸点：
  752.1±60.0 °C(Predicted)
• 密度：
  1.240±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  42
• 可旋转键数：
  16
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  161
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  dimethyl 4-[2-(4-aminobutoxy)-5-nitrophenyl]-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate 、 苯基缩水甘油醚 在 chloroform methanol 、 乙醇 作用下， 以 甲醇 为溶剂， 反应 16.0h， 以to give 9 g of dimethyl 4-[2-[4-(2-hydroxy-3-phenoxypropylamino)butoxy]-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate的产率得到dimethyl 4-[2-[4-[[(S)-2-hydroxy-3phenoxypropyl]amino]butoxy]-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
  参考文献：
  名称：

  Dihydropyridine compounds and pharmaceutical compositions containing them

  摘要：

  以下是通式（I）的二氢吡啶化合物或其盐：##STR1## 其中R.sup.1和R.sup.2，相同或不同，各代表C.sub.1到C.sub.10烷基，被氧原子中断的较低烷基，或被C.sub.3到C.sub.6脂环基取代的较低烷基;R.sup.3和R.sup.4，相同或不同，各代表较低烷基;R.sup.5和R.sup.6，相同或不同，各代表氢原子、硝基、卤素原子、较低烷基、较低烷氧基、较低烷基硫基、较低烷基磺酰基或较低烷基亚磺酰基;R.sup.7和R.sup.8，相同或不同，各代表氢原子、卤素原子、氰基、较低烷氧基或较低烷基酰胺基，或R.sup.7可以与R.sup.8结合，与相邻的苯基一起形成萘基;A代表单键、乙烯基（--CH.dbd.CH--）或乙炔基（--C.dbd.C--）;B代表单键或--CH.sub.2 O--;m和n，相同或不同，各代表0或1到5的整数。这些化合物对于治疗各种心血管疾病非常有用，因为它们具有Ca.sup.2+ -拮抗和肾上腺素β受体阻滞活性。

  公开号：

  US04727082A1

文献信息

• 1,4-Dihydropyridines substituted by 3-aryloxy-2-hydroxypropyl amino
  申请人：Imperial Chemical Industries plc

  公开号：US04873254A1

  公开（公告）日：1989-10-10

  A dihydropyridine of the formula: ##STR1## wherein R.sup.1 and R.sup.2 each is alkyl, alkenyl or alkoxyalkyl, wherein R.sup.3 and R.sup.4 each is alkyl, wherein benzene ring A is unsubstituted or bears one or more additional substituents selected from halogeno, cyano, nitro, trifluoromethyl and alkyl, or bears the substituent .dbd.N--O--N.dbd. attached to the 5- and 6-positions, wherein Ar is as defined in the specification, wherein p is 0 or 1, wherein X is --O-- or --S--, and wherein Y is straight-or branched-chain alkylene or alkenylene each of 2 to 12 carbon atoms which may optionally be interrupted by one or two groups selected from oxygen, sulphur, imino, substituted imino, phenylene, substituted phenylene, pyridylene, cycloalkylene, 1,4-piperazinediyl, 1,4-piperidinediyl and amido groups; or an acid-addition salt thereof, processes for their manufacture and pharmaceutical compositions containing them. The compounds possess either beta-adrenergic blocking or calcium ion slow channel blocking properties, or both such properties, and may be used in the treatment of hypertension.

  一种二氢吡啶的化学式为：其中R.sup.1和R.sup.2各自为烷基、烯基或烷氧基，R.sup.3和R.sup.4各自为烷基，苯环A为未取代或带有一种或多种额外的取代基，包括卤素、氰基、硝基、三氟甲基和烷基，或者带有连接到5-和6-位置的取代基.dbd.N--O--N.dbd.，其中Ar如规范中定义，p为0或1，X为--O--或--S--，Y为直链或支链的2到12个碳原子的烷基或烯基，可能被氧、硫、亚胺、取代亚胺、苯基、取代苯基、吡啶基、环烷基、1,4-哌嗪基、1,4-哌啶基和酰胺基中的一个或两个基团所中断；或其酸盐加合物，其制备方法和含有它们的药物组合物。这些化合物具有β-肾上腺素受体阻滞或钙离子慢通道阻滞性能，或两者的性能，可用于治疗高血压。
• Dihydropyridine alkanol amines, process for their preparation and pharmaceutical compositions containing them
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0194751A1

  公开（公告）日：1986-09-17

  A wherein R' and R2 each is alkyl, alkenyl or alkoxyalkyl, wherein R3 and R4 each is alkyl, wherein benzene ring A is unsubstituted or bears one or more additional substituents selected from halogeno, cyano, nitro, trifluoromethyl and alkyl, or bears the substituent =N-α-N= attached to the 5-and 6-positions, wherein Ar is phenyl, naphthyl, tetrahydronaphthyl, indanyl or indenyl which is unsubstituted or which bears one or more substituents, or Ar is a 5- or 6-membered heterocyclic ring containing 1, 2 or 3 heteroatoms selected from oxygen, nitrogen and sulphur, which ring is saturated or unsaturated, which ring is unsubstituted or bears one or more substituents and which ring may also be fused to a benzene ring, wherein p is 0 or 1, wherein X is -0- or -5-, and wherein Y is straight-or branched-chain alkylene or alkenylene each of 2 to 12 carbon atoms which may optionally be interrupted by one or two groups selected from oxygen, sulphur, imino, substituted imino, phenylene, substituted phenylene, pyridylene, cycloalkylene, 1,4-piperazinediyl, 1,4-piperidinediyl and amido groups; or an acid-addition salt thereof, processes for their manufacture and pharmaceutical compositions containing them. The compounds possess either beta-adrenergic blocking or calcium ion slow channel blocking properties, or both such properties, and may be used in the treatment of hypertension.

  A 其中 R' 和 R2 各为烷基、烯基或烷氧基烷基，其中 R3 和 R4 各为烷基，其中苯环 A 未被取代或带有一个或多个选自卤素、氰基、硝基、三氟甲基和烷基的额外取代基、其中 Ar 是未被取代的苯基、萘基、四氢萘基、茚基或茚基，或带有一个或多个取代基，或 Ar 是含有 1、2 或 3 个选自氧、氮和硫的杂原子的 5 或 6 元杂环、其中 p 为 0 或 1，X 为-0-或-5-、其中 Y 为 2 至 12 个碳原子的直链或支链亚烷基或烯基，可任选被一个或两个选自氧、硫、亚氨基、取代亚氨基、亚苯基、取代亚苯基、吡啶基、环烷基、1,4-哌嗪二基、1,4-哌啶二基和氨基的基团打断；或其酸加成盐，以及它们的制造工艺和含有它们的药物组合物。这些化合物具有β-肾上腺素能阻断特性或钙离子慢通道阻断特性，或同时具有这两种特性，可用于治疗高血压。
• Dihydropyridine compounds, their production, and pharmaceutical compositions containing them
  申请人：YAMANOUCHI PHARMACEUTICAL CO., LTD.

  公开号：EP0167371B1

  公开（公告）日：1991-03-06
• US4727082A
  申请人：——

  公开号：US4727082A

  公开（公告）日：1988-02-23
• US4873254A
  申请人：——

  公开号：US4873254A

  公开（公告）日：1989-10-10