4-[2-(1-氮杂环庚基)(1,2-苯并恶唑-3-基)乙酰氧基]-1-乙基-1-甲基哌啶鎓碘化物 | 86434-57-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 4-[2-(1-氮杂环庚基)(1,2-苯并恶唑-3-基)乙酰氧基]-1-乙基-1-甲基哌啶鎓碘化物
• 中文别名: 贝哌碘铵
• 英文名称: 4-<2-(1,2-benzisoxazol-3-yl)-2-(hexahydro-1H-azepin-1-yl)acetoxy>-1-ethyl-1-methylpiperidinium iodide
• 英文别名: 1-ethyl-1-methyl-4-[2-hexamethyleneimino-2-(1,2-benzisoxazol-3-yl)acetoxy]piperidinium iodide；4-[2-(1,2-benzisoxazol-3-yl)-2-(hexahydro-1H-azepin-1-yl)acetoxy]-1-ethyl-1-methylpiperidinium iodide；Beperidium Iodide；(1-ethyl-1-methylpiperidin-1-ium-4-yl) 2-(azepan-1-yl)-2-(1,2-benzoxazol-3-yl)acetate;iodide
• CAS: 86434-57-3
• 化学式: C₂₃H₃₄N₃O₃*I
• 分子量: 527.446
• InChiKey: XEHKKWZHSSPBNZ-UHFFFAOYSA-M

物化性质

• 溶解度：
  溶于二甲基亚砜

计算性质

• 辛醇/水分配系数(LogP)：
  0.92
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  55.6
• 氢给体数：
  0
• 氢受体数：
  6

制备方法与用途

生物活性

Beperidium iodide 对乙酰胆碱具有竞争性拮抗作用，其 ( pA_2 ) 值为 7.93。

靶点

( pA_2: 7.93 )（乙酰胆碱受体）

反应信息

• 作为产物：
  描述：

  1,2-苯并异唑-3-乙酸 在 溴 、 对甲苯磺酰氯 作用下， 以 氯仿 、 溶剂黄146 、 丙酮 、 甲苯 为溶剂， 反应 37.0h， 生成 4-[2-(1-氮杂环庚基)(1,2-苯并恶唑-3-基)乙酰氧基]-1-乙基-1-甲基哌啶鎓碘化物
  参考文献：
  名称：

  Synthesis and anti-cholinergic activity of aminoalkyl 2-cyclic amino-2-(1,2-benzisoxazol-3-yl)acetates and their quaternary ammonium salts

  摘要：

  DOI：

  10.1016/0223-5234(87)90051-1

文献信息

• 2-Cyclic amino-2-(1,2-benzisoxazol-3-yl)acetic acid ester derivatives,
  申请人：Dainippon Pharmaceutical Co., Ltd.

  公开号：US04447439A1

  公开（公告）日：1984-05-08

  Novel 2-cyclic amino-2-(1,2-benzisoxazol-3-yl)acetic acid derivatives of the formula: ##STR1## wherein R.sub.1 is hydrogen or a halogen atom, R.sub.2 is a lower alkyl group, Am is a 5- to 9-membered saturated cyclic amino group which may be substituted by a lower alkyl group, and the group: ##STR2## binds to the piperidine moiety at 3- or 4-position of the latter, and their pharmaceutically acceptable acid addition salts and quaternary ammonium salts, process for their preparation, and pharmaceutical compositions containing these compounds. They have potent anticholinergic antispasmodic activity, while they are weak in side effects such as mydriasis, inhibition of salivary secretion and tachycardia.

  2-环氨基-2-(1,2-苯并异噁唑-3-基)乙酸衍生物的化学式为：##STR1##其中R.sub.1是氢或卤素原子，R.sub.2是较低的烷基基团，Am是一个5-至9-成员饱和环氨基基团，可能被较低的烷基基团取代，以及该基团：##STR2##与哌啶基团在后者的3-或4-位置结合，以及它们的药学上可接受的酸加盐和季铵盐，它们的制备方法，以及含有这些化合物的药物组合物。它们具有强效的抗胆碱能抗痉挛活性，同时在瞳孔扩大、唾液分泌抑制和心动过速等副作用方面效果较弱。
• Pharmaceutical preparation comprising an active dispersed on a matrix
  申请人：——

  公开号：US20040058896A1

  公开（公告）日：2004-03-25

  The present invention relates to the field of pharmaceutical technology and describes a novel advantageous preparation for an active ingredient. The novel preparation is suitable for producing a large number of pharmaceutical dosage forms. In the new preparation an active ingredient is present essentially uniformly dispersed in an excipient matrix composed of one or more excipients selected from the group of fatty alcohol, triglyceride, partial glyceride and fatty acid ester.

  本发明涉及制药技术领域，描述了一种新的有利的活性成分制备方法。这种新的制备方法适用于生产大量的药物剂型。在这种新的制备方法中，活性成分基本上均匀地分散在由脂肪醇、甘油三酯、部分甘油酯和脂肪酸酯等多种赋形剂中选择的一种或多种赋形剂组成的赋形剂基质中。
• Diagnostic/therapeutic agents
  申请人：Klaveness Jo

  公开号：US20050002865A1

  公开（公告）日：2005-01-06

  Targetable diagnostic and/or therapeutically active agents, e.g. ultrasound contrast agents, comprising a suspension in an aqueous carrier liquid of a reporter comprising gas-containing or gas-generating material, said agent being capable of forming at least two types of binding pairs with a target.

  可定位的诊断和/或治疗活性剂，例如超声对比剂，包括悬浮在水载体液中的报告物，该报告物包含含气体或生成气体的材料，该剂能够与目标形成至少两种结合对。
• 2-Cyclic amino-2-(1,2-benzisoxazol-3-yl)acetic acid ester derivatives, process for the preparation thereof and composition containing the same
  申请人：Dainippon Pharmaceutical Co., Ltd.

  公开号：EP0073645A2

  公开（公告）日：1983-03-09

  2-Cyclic amino-2-[1,2-benzisoxazol-3-yl]acetic acid derivatives of the formula: (wherein R, is hydrogen or a halogen atom, R2 is a lower alkyl group, Am is a 5- to 9-membered saturated cyclic amino group which may be substituted by a lower alkyl group, and the piperidine moiety is attached at its 3- or 4-position], and their pharmaceutically acceptable acid addition salts and quaternary ammonium salts have potent anticholinergic antispasmodic activity, while they are weak in side effects such as mydriasis, inhibition of salivary secretion and tachycardia. The preferred com- and the 1-ethyl-1-methyl piperidinium iodide derivative thereof. Compounds (I) may be made from Am-H and a 2- haloacetic acid derivative (whose synthesis is described). They can be selectively quaternised at the piperidine N-atom.

  式中的 2-环氨基-2-[1,2-苯并异噁唑-3-基]乙酸衍生物： (其中，R, 是氢原子或卤素原子，R2 是低级烷基，Am 是可被低级烷基取代的 5 至 9 元饱和环状氨基，哌啶分子连接在其 3 位或 4 位]，及其药学上可接受的酸加成盐和季铵盐具有强效的抗胆碱能解痉活性，而副作用较弱，如眼球震颤、抑制唾液分泌和心动过速。首选的组合是 和 1-乙基-1-甲基碘化哌啶衍生物。 化合物(I)可以由 Am-H 和 2-卤代乙酸衍生物（其合成方法已描述）制成。它们可以在哌啶 N 原子上进行选择性季铵化。
• Nasally administrable compositions
  申请人：DOTT RESEARCH LABORATORY

  公开号：EP0681833A2

  公开（公告）日：1995-11-15

  A nasally administrable composition having a physiologically active substance dispersed homogeneously in and adsorbed homogeneously onto a unique carrier. The nasally administrable composition contains a physiologically effective amount of the physiologically active substance having a molecular weight of not more than 40,000, dispersed homogeneously in and adsorbed homogeneously onto physiologically acceptable powdery or crystalline polyvalence metal compound carrier. The metal compound carrier is selected from aluminum compound, calcium compound, magnesium compound, silicon compound, iron compound and zinc compound. The composition is nasally administrable in powdery form.

  一种可经鼻腔给药的组合物，其生理活性物质均匀地分散在一种独特的载体中并被均匀地吸附在载体上。鼻腔给药组合物含有生理有效量的生理活性物质，其分子量不超过 40 000，均匀地分散在生理上可接受的粉末状或结晶状多价金属化合物载体上。 金属化合物载体选自铝化合物、钙化合物、镁化合物、硅化合物、铁化合物和锌化合物。 组合物可以粉末状鼻腔给药。