nisoldipine | 111634-72-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: nisoldipine
• 英文别名: 3-Methyl 5-(2-methylpropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate；3-O-methyl 5-O-(2-methylpropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• CAS: 111634-72-1
• 化学式: C₂₀H₂₄N₂O₆
• 分子量: 388.42
• InChiKey: MRSJBSHLMOBYSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  间硝基苯甲醛 以 乙醇 为溶剂， 反应 96.0h， 生成 nisoldipine
  参考文献：
  名称：

  Fossheim, R.; Joslyn, A.; Solo, A. J., Journal of Medicinal Chemistry, 1988, vol. 31, # 2, p. 301 - 305

  摘要：

  DOI：

文献信息

• Structures and characterization of m-nisoldipine polymorphs
  作者：Caiqin Yang、Zhenwei Zhang、Yanli Zeng、Jing Wang、Yongli Wang、Baoqing Ma

  DOI：10.1039/c2ce06359j

  日期：——

  m-Nisoldipine, a dihydropyridine calcium ion antagonist, first synthesized in the School of Pharmaceutical Sciences, Hebei Medical University, exhibits two polymorphs A and B with different colors and morphologies. The single-crystal X-ray structure analysis reveals that polymorph A crystallizes in a monoclinic P21/c space group with a = 9.3045(2) Å, b = 16.5991(5) Å, c = 13.0018(3) Å, β = 91.539(2)° and Z = 4, while B crystallizes in a triclinic space group of P with a = 7.4965(2) Å, b = 11.4692(4) Å, c = 12.3648(5) Å, α = 68.093(2)°, β = 88.655(2)°, γ = 81.853(2)° and Z = 2. The m-nisoldipine molecules are connected through N–H⋯O hydrogen bonds between the carbonyl group and the amine group to form either a wavy chain for A or a linear chain for B. The two polymorphs show distinct physicochemical properties as characterized by IR, Raman, DSC and terahertz pulse spectroscopy. DFT theoretical calculations are also used to simulate the terahertz spectroscopy of the two polymorphs.

  m-尼索地平是一种二氢吡啶类钙离子拮抗剂，由河北医科大学药学院首次合成。单晶 X 射线结构分析表明，多晶体 A 结晶于单斜 P21/c 空间群，a = 9.3045(2)埃，b = 16.5991(5)埃，c = 13.0018(3)埃，β = 91.而 B 晶体的三linic 空间群为 P，a = 7.4965(2)埃，b = 11.4692(4)埃，c = 12.3648(5)埃，α = 68.093(2)°，β = 88.655(2)°，γ = 81.853(2)°，Z = 2。m-nisoldipine 分子通过羰基和胺基之间的 N-H⋯O 氢键连接，形成 A 型的波浪链或 B 型的线性链。DFT 理论计算也用于模拟这两种多晶体的太赫兹光谱。
• STABILIZED PHARMACEUTICAL COMPOSITIONS CONTAINING CALCIUM CHANNEL BLOCKERS
  申请人：Sankyo Company, Limited

  公开号：EP1285655A1

  公开（公告）日：2003-02-26

  The present invention provides a pharmaceutical composition containing a calcium blocker of the following formula or a pharmacologically acceptable salt thereof and a pharmacologically acceptable alkaline material which is added to an extent such that an aqueous solution or dispersion solution of said pharmaceutical composition containing a calcium blocker has a pH of at least 8: [wherein R1 represents an optionally substituted C1-C4 alkyl group, an amino group or a cyano group; R2 represents an optionally substituted C1-C4 alkyl group, a substituted C3-C4 alkenyl group, or a substituted 4- to 6-membered cyclic amino group; R3 represents a substituted phenyl group; R4 represents an optionally substituted C1-C4 alkoxycarbonyl group, a 1,3,2-phosphorinan-2-yl group, or a 5,5-dimethyl-1,3,2-phosphorinan-2-yl group, R5 represents a C1-C4 alkyl group].

  本发明提供了一种药物组合物，该药物组合物含有下式的钙阻滞剂或其药理学上可接受的盐和药理学上可接受的碱性物质，该碱性物质的加入量使含有钙阻滞剂的所述药物组合物的水溶液或分散液的pH值至少为8： [其中 R1 代表任选取代的 C1-C4 烷基、氨基或氰基；R2 代表任选取代的 C1-C4 烷基、取代的 C3-C4 烯基或取代的 4 至 6 元环状氨基；R3 代表取代的苯基；R4 代表任选取代的 C1-C4 烷氧基羰基、1,3,2-膦-2-基或 5,5-二甲基-1,3,2-膦-2-基，R5 代表 C1-C4 烷基]。
• Stabilized pharmaceutical compositions containing a calcium channel blocker
  申请人：SANKYO COMPANY, LIMITED

  公开号：US20030073670A1

  公开（公告）日：2003-04-17

  The present invention provides a pharmaceutical composition containing a calcium channel blocker of the following formula or a pharmacologically acceptable salt thereof and a pharmacologically acceptable alkaline material which is added to an extent such that an aqueous solution or dispersion solution of said pharmaceutical composition containing a calcium channel blocker has a pH of at least 8: 1 [wherein R 1 represents an optionally substituted C 1 -C 4 alkyl group, an amino group or a cyano group; R 2 represents an optionally substituted C 1 -C 4 alkyl group, a substituted C 3 -C 4 alkenyl group, or a substituted 4- to 6-membered cyclic amino group; R 3 represents a substituted phenyl group; R 4 represents an optionally substituted C 1 -C 4 alkoxycarbonyl group, a 1,3,2-phosphorinan-2-yl group, or a 5,5-dimethyl-1,3,2-phosphorinan-2-yl group, R 5 represents a C 1 -C 4 alkyl group].

  本发明提供了一种药物组合物，该药物组合物含有下式的钙通道阻滞剂或其药理学上可接受的盐和药理学上可接受的碱性物质，该碱性物质的添加量使得含有钙通道阻滞剂的所述药物组合物的水溶液或分散液的pH值至少为8： 1 其中 R 1 代表任选取代的 C 1 -C 4 烷基、氨基或氰基； R 2 代表任选取代的 C 1 -C 4 烷基、取代的 C 3 -C 4 烯基，或取代的 4 至 6 元环状氨基； R 3 代表取代的苯基 4 代表任选取代的 C 1 -C 4 烷氧羰基、1,3,2-磷杂-2-基或 5,5-二甲基-1,3,2-磷杂-2-基，R 5 代表一个 C 1 -C 4 烷基]。
• US4703119A
  申请人：——

  公开号：US4703119A

  公开（公告）日：1987-10-27
• US4849433A
  申请人：——

  公开号：US4849433A

  公开（公告）日：1989-07-18