2,5-Pyrrolidinedione, 3-(2-decenyl)- | 137757-09-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 2,5-Pyrrolidinedione, 3-(2-decenyl)-
• 英文别名: 3-[(E)-dec-2-enyl]pyrrolidine-2,5-dione
• CAS: 137757-09-6
• 化学式: C₁₄H₂₃NO₂
• 分子量: 237.34
• InChiKey: JNEMIKDTGXTWPK-CMDGGOBGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• Compounds and pharmaceutical preparations having calcium - regulatory activity
  申请人：University of Lancaster

  公开号：EP0240257A2

  公开（公告）日：1987-10-07

  Pharmaceutical compositions useful in regulating calcium transport across cellular membranes in man and ani­mals are disclosed. The compositions contain plant growth regulators such as abscisic acid and its derivatives. In particular, the compositions contain a compound of the for­mula: or R₁ - Y - R₂ wherein R₁ is an alkyl of up to seven carbons or a saturated or unsaturated six membered carbon ring, which may be sub­stituted; R₂ is a cyano group, a thio or hydroxy lower alkyl group or a group containing a carbonyl, most commonly a carboxyl group; R₃ is hydrogen or lower alkyl; R₄ is hydro­gen, lower alkyl or halide; R₅ is hydrogen or hydroxy; R₆ is hydrogen, carboxy or carboxy lower alkyl, or R₅ and R₆ form a bond between the carbons to which they are attached or with the carbons to which they are attached form a carbon ring; or R₂ and R₆ together with the carbon to which they are bonded form a heterocyclic ring; n is 0 or 1, with the proviso that when n is 0, R₂ is an acyl group; X is -CH₂-, -­CH=CH-, -CH₂-CH₂-, -CH₂-NH-, -CH₂-O-, -CH₂-S- or -NH-CO-; and Y is a carbocyclic group bonded to R₁ and R₂ through a single carbon. The compositions are formulated for oral, parenteral or other form of administration in dosages neces­sary to effect the desired change in calcium flux. Daily doses of 0.01 to 200 mg/kg in one or more doses are contem­plated. Dosage units may be formulated with any pharma­ceutically acceptable carrier which is compatible with the active ingredient.

  本发明公开了可用于调节人和动物细胞膜钙转运的药物组合物。这些组合物含有植物生长调节剂，如脱落酸及其衍生物。特别是，组合物中含有一种式的化合物： 或 R₁ - Y - R₂ 其中，R₁ 是最多七个碳原子的烷基或饱和或不饱和的六分子碳环，可以被取代；R₂ 是氰基、硫代或羟基低级烷基或含有羰基的基团，最常见的是羧基；R₃ 是氢或低级烷基；R₄ 是氢、低级烷基或卤化物；R₅ 是氢或羟基；R₆ 是氢、羧基或羧基低级烷基，或 R₅ 和 R₆ 在所连接的碳之间形成键，或与所连接的碳一起形成碳环；或 R₂ 和 R₆ 与所连接的碳一起形成杂环；n 为 0 或 1，但当 n 为 0 时，R₂ 为酰基；X 为-CH₂-、-CH=CH-、-CH₂-CH₂-、-CH₂-NH-、-CH₂-O-、-CH₂-S-或-NH-CO-；Y 是通过一个碳与 R₁ 和 R₂ 键合的碳环基团。组合物配制成口服、肠外或其他形式的给药剂量，以实现所需的钙通量变化。日剂量为 0.01 至 200 毫克/千克，可考虑一次或多次给药。剂量单位可与任何与活性成分相容的药学上可接受的载体配制。