1-methyl-3-ethyl>carbamoyl>pyridinium iodide | 84455-02-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 1-methyl-3-ethyl>carbamoyl>pyridinium iodide
• 英文别名: 1-Methyl-3-{N-[β-(3,4-dipivalyloxyphenyl)ethyl]}carbamoyl pyridinium iodide；1-Methyl-3-{N-[beta-(3,4-dipivalyloxyphenyl)ethyl]}carbamoylpyridinium iodide；[2-(2,2-dimethylpropanoyloxy)-4-[2-[(1-methylpyridin-1-ium-3-carbonyl)amino]ethyl]phenyl] 2,2-dimethylpropanoate;iodide
• CAS: 84455-02-7
• 化学式: C₂₅H₃₃N₂O₅*I
• 分子量: 568.452
• InChiKey: UEVZGRAHDAADMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.39
• 重原子数：
  33
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  85.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-methyl-3-ethyl>carbamoyl>pyridinium iodide 生成 1-methyl-3-ethyl>carbamoyl>-1,4-dihydropyridine
  参考文献：
  名称：

  BODOR, NICHOLAS S.

  摘要：

  DOI：
• 作为产物：
  描述：

  3-ethyl>carbamoyl>pyridine 生成 1-methyl-3-ethyl>carbamoyl>pyridinium iodide
  参考文献：
  名称：

  BODOR, N. S.

  摘要：

  DOI：

文献信息

• Brain-specific drug delivery
  申请人：University of Florida

  公开号：US04824850A1

  公开（公告）日：1989-04-25

  The subject compounds, which are adapted for the site-specific/sustained delivery of centrally acting drug species to the brain, are: (a) compounds of the formula [D--DHC] (I) wherein [D] is a centrally acting drug species, and [DHC] is the reduced, biooxidizable, blood-brain barrier penetrating lipoidal form of a dihydropyridine.revreaction.pyridinium salt redox carrier, with the proviso that when [DHC] is ##STR1## wherein R is lower alkyl or benzyl and [D] is a drug species containing a single NH.sub.2 or OH functional group, the single OH group when present being a primary or secondary OH group, said drug species being linked directly through said NH.sub.2 or OH function group to the carbonyl function of [DHC], then [D] must be other than a sympathetic stimulant, steroid sex hormone or long chain alkanol; and (b) non-toxic pharmaceutically acceptable salts of compounds of formula (I) wherein [D] is a centrally acting drug species and [DHC] is the reduced, biooxidizable, blood-brain barrier penetrating lipoidal form of a dihydropyridine.revreaction.pyridinium salt redox carrier. The corresponding ionic pyridinium salt type drug/carrier entitles [D--QC].sup.+ X.sup.- are also disclosed.

  这些适用于将中枢作用药物种类定向/持续释放到大脑的主体化合物是：(a) 公式[D--DHC] (I)的化合物，其中[D]是中枢作用药物种类，[DHC]是二氢吡啶盐氧化还原、穿透血脑屏障的脂质形式，带有二氢吡啶盐氧化还原载体，但当[DHC]是##STR1##其中R是较低的烷基或苄基，[D]是含有单个NH.sub.2或OH官能团的药物种类，当存在单个OH官能团时，该OH官能团为一次或二次OH官能团，该药物种类通过NH.sub.2或OH官能团直接连接到[DHC]的羰基官能团，则[D]不能是交感神经刺激剂、类固醇性激素或长链烷醇；以及(b) 公式(I)的化合物的无毒的药用可接受盐，其中[D]是中枢作用药物种类，[DHC]是二氢吡啶盐氧化还原、穿透血脑屏障的脂质形式，带有二氢吡啶盐氧化还原载体。还披露了相应的离子式吡啶盐型药物/载体[D--QC].sup.+ X.sup.-。
• Brain-specific dopaminergic activity involving dihydropyridine
  申请人：University of Florida

  公开号：US04727079A1

  公开（公告）日：1988-02-23

  A brain-specific dopaminergic response is elicited in a patient in need of such treatment, e.g., a patient afflicted with Parkinson's disease of hyperprolactinemia, by administering thereto a therapeutically effective amount of preferably catechol protected dopamine tethered to a reduced, blood-brain barrier penetrating lipoidal form [D-DHC] of a dihydropyridine.revreaction.pyridinium salt type redox carrier, e.g., 1,4-dihydrotrigonelline. Oxidation of the dihydropyridine carrier moiety in vivo to the ionic pyridinium salt type dopamine/carrier entity [D-QC].sup.+ prevents elimination thereof from the brain, while elimination from the general circulation is accelerated, resulting in significant and prolongedly sustained brain-specific dopaminergic activity.

  一种特定于大脑的多巴胺反应被引发，以治疗有需要的患者，例如，患有帕金森病或垂体高泌乳素血症的患者，通过向其投予一定量的治疗有效的優選的優選的優選的優選的優選的多巴胺，其被连接到一种降低的，穿透血脑屏障的脂质形式[D-DHC]的二氢吡啶盐型氧化还原载体，例如，1,4-二氢三甲基咖啡碱。体内二氢吡啶载体基团的氧化形成离子型吡啶盐型多巴胺/载体实体[D-QC].sup.+，防止其从大脑中排泄，同时加速其从一般循环中的排泄，导致显著且持续时间较长的大脑特异性多巴胺活性。
• Brain-specific drug delivery of steroid sex hormones cleaved from
  申请人：University of Florida

  公开号：US04900837A1

  公开（公告）日：1990-02-13

  The subject compounds, which are adapted for the site-specific/sustained delivery of centrally acting drug species to the brain, are: (a) compounds of the formula [D--DHC] (I) wherein [D] is a centrally acting drug species, and [DHC] is the reduced, biooxidizable, blood-brain barrier penetrating lipoidal form of a dihydropyridine.revreaction.pyridinium salt redox carrier, with the proviso that when [DHC] is ##STR1## wherein R is lower alkyl or benzyl and [D] is a drug species containing a single NH.sub.2 or OH functional group, the single OH group when present being a primary or secondary OH group, said drug species being linked directly through said NH.sub.2 or OH function group to the carbonyl function of [DHC], then [D] must be other than a sympathetic stimulant, steroid sex hormone or long chain alkanol; and (b) non-toxic pharmaceutically acceptable salts of compounds of formula (I) wherein [D] is a centrally acting drug species and [DHC] is the reduced, biooxidizable, blood-brain barrier penetrating lipoidal form of a dihydropyridine.revreaction.pyridinium salt redox carrier. The corresponding ionic pyridinium salt type drug/carrier entitles [D--QC].sup.+ X.sup.- are also disclosed.

  这些化合物适用于特定部位/持续性地将中枢神经系统药物物种传递到大脑，其中包括：（a）公式[D--DHC]（I）的化合物，其中[D]是中枢神经系统药物物种，[DHC]是二氢吡啶盐氧化还原载体的还原、可生物氧化、穿过血脑屏障的脂质形式，但当[DHC]为##STR1##其中R为低级烷基或苄基，[D]为含有单个NH.sub.2或OH官能团的药物物种，当存在单个OH官能团时，其为一级或二级OH官能团，该药物物种通过NH.sub.2或OH功能团直接连接到[DHC]的羰基功能团，则[D]必须不是交感神经兴奋剂、类固醇性激素或长链烷醇；以及（b）公式（I）的化合物的非毒性药用可接受盐，其中[D]是中枢神经系统药物物种，[DHC]是二氢吡啶盐氧化还原载体的还原、可生物氧化、穿过血脑屏障的脂质形式。还公开了相应的离子吡啶盐型药物/载体[D--QC].sup.+ X.sup.-。
• Brain-specific delivery of dopamine utilizing dihydropyridine/pyridinium
  申请人：University of Florida

  公开号：US04880816A1

  公开（公告）日：1989-11-14

  A brain-specific dopaminergic response is elicited in a patient in need of such treatment, e.g., a patient afflicted with Parkinson's disease of hyperprolactinemia, by administering thereto a therapeutically effective amount of preferably catechol protected dopamine tethered to a reduced, blood-brain barrier penetrating lipoidal form [D-DHC] of a dihydropyridine.revreaction.pyridinium salt type redox carrier, e.g., 1,4-dihydrotrigonelline. Oxidation of the dihydropyridine carrier moiety in vivo to the ionic pyridinium salt type dopamine/carrier entity [D-QC].sup.+ prevents elimination thereof from the brain, while elimination from the general circulation is accelerated, resulting in significant and prolongedly sustained brain-specific dopaminergic activity.

  在需要此类治疗的患者身上，例如患有帕金森病或高泌乳素血症的患者，通过向其施用治疗有效量的优选儿茶酚保护的多巴胺，该多巴胺与一种还原的、能穿过血脑屏障的脂质形式[D-DHC]的二氢吡啶盐型氧化还原载体，例如1,4-二氢三甲基咖啡碱结合。体内二氢吡啶载体基团的氧化形成离子型吡啶盐型多巴胺/载体实体[D-QC]sup.+，防止其从大脑中消失，同时加速其从全身循环中消除，从而导致显著且长期持续的大脑特异性多巴胺能活性。
• BODOR, NICHOLAS S.
  作者：BODOR, NICHOLAS S.

  DOI：——

  日期：——