1-butyl-3-carbamoyl-pyridinium | 13309-34-7

• 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: 1-butyl-3-carbamoyl-pyridinium
• 英文别名: 1-Butylpyridin-1-ium-3-carboxamide
• CAS: 13309-34-7
• 化学式: C₁₀H₁₅N₂O
• 分子量: 179.242
• InChiKey: MZPMBNIHJGNIAO-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  47
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  3-carbamoyl-1-(2,4-dinitrophenyl)pyridinium chloride 、 正丁胺 以 甲醇 为溶剂， 反应 5.0h， 以75%的产率得到1-butyl-3-carbamoyl-pyridinium
  参考文献：
  名称：

  [EN] THERAPEUTICS USE OF PYRIDINIUM COMPOUNDS TO MODULATE NAADP ACTIVITY
  [FR] COMPOSES THERAPEUTIQUES

  摘要：

  公开号：

  WO2005054198A3

文献信息

• A classical but new kinetic equation for hydride transfer reactions
  作者：Xiao-Qing Zhu、Fei-Huang Deng、Jin-Dong Yang、Xiu-Tao Li、Qiang Chen、Nan-Ping Lei、Fan-Kun Meng、Xiao-Peng Zhao、Su-Hui Han、Er-Jun Hao、Yuan-Yuan Mu

  DOI：10.1039/c3ob40831k

  日期：——

  activation energies of various hydride transfer reactions was developed according to transition state theory using the Morse-type free energy curves of hydride donors to release a hydride anion and hydride acceptors to capture a hydride anion and by which the activation energies of 187 typical hydride self-exchange reactions and more than thirty thousand hydride cross transfer reactions in acetonitrile were

  根据过渡态理论，使用氢化物​​供体的莫尔斯型自由能曲线释放氢化物阴离子和氢化物受体以捕获氢化物阴离子，开发了一种经典但新颖的动力学方程式，用于估算各种氢化物转移反应的活化能。 187个典型的氢化物自交换反应和超过3万个氢化物交叉转移反应的活化能 乙腈被安全地估计在这项工作中。由于动力学方程式的发展仅基于氢化物转移反应物的相关化学键变化，因此该动力学方程式也应适用于质子转移反应，氢原子转移反应以及所有其他涉及断裂和化学反应的化学反应。化学键的形成。这项工作最重要的贡献之一是实现了氢化物转移反应动力学方程和热力学方程的完美统一。
• THERAPEUTICS
  申请人：Potter Victor Lloyd Barry

  公开号：US20070105810A1

  公开（公告）日：2007-05-10

  The present invention relates to the use of a compound of formula (1): wherein: R1 comprises a carbonyl group and R2 is a hydrocarbyl group; optionally wherein said ring is further substituted; or a pharmaceutically acceptable salt thereof; in the manufacture of a medicament for use in one or more of: modulating the release of intracellular calcium from a store controlled by nicotinic acid adenine dinucleotide phosphate; modulating calcium spikes in mammalian cells; treating diseases in one or more of brain, heart, pancreatic cells (e.g. pancreatic acinar and pancreatic beta cells), immune cells, T-cells, haemopoietic cells including phagocytes; treating diseases in one or more of brain, heart, pancreatic cells (e.g. pancreatic acinar and pancreatic beta cells), immune cells, T-cells, haemopoietic cells including phagocytes by modulating the release of intracellular calcium from a store controlled by nicotinic acid adenine dinucleotide phosphate; treating diseases in one or more of brain, heart, and T-cells by modulating calcium spikes in mammalian cells.

  本发明涉及使用式（1）的化合物或其药学上可接受的盐：其中R1包括一个羰基基团，R2是一个烃基团，可选择其中所述环进一步取代；用于制造药物，用于调节由烟酸腺嘌呤二核苷酸控制的储存内源性钙的释放；用于调节哺乳动物细胞中的钙峰；通过调节由烟酸腺嘌呤二核苷酸控制的储存内源性钙的释放，治疗脑部、心脏、胰腺细胞（例如胰腺导管细胞和胰岛β细胞）、免疫细胞、T细胞、包括吞噬细胞在内的造血细胞的疾病；通过调节哺乳动物细胞中的钙峰，治疗脑部、心脏和T细胞的疾病。
• [EN] THERAPEUTICS<br/>[FR] AGENTS THÉRAPEUTIQUES
  申请人：UNIV BATH

  公开号：WO2007132179A2

  公开（公告）日：2007-11-22

  [EN] The present invention relates to the use of a compound of formula (1) wherein: R1 comprises a carbonyl group and R2 is a hydrocarbyl group; optionally wherein said ring is further substituted; or a pharmaceutically acceptable salt thereof; in the manufacture of a medicament for use in one or more of: modulating the release of intracellular calcium from a store controlled by nicotinic acid adenine dinucleotide phosphate; modulating calcium spikes in mammalian cells; treating diseases in one or more of brain, heart, pancreatic cells (e.g. pancreatic acinar and pancreatic beta cells), immune cells, T-cells, haemopoietic cells including phagocytes; treating diseases in one or more of brain, heart, pancreatic cells (e.g. pancreatic acinar and pancreatic beta cells), immune cells, T-cells, haemopoietic cells including phagocytes by modulating the release of intracellular calcium from a store controlled by nicotinic acid adenine dinucleotide phosphate; treating diseases in one or more of brain, heart, and T-cells by modulating calcium spikes in mammalian cells.
  [FR] L'invention concerne l'utilisation d'un composé représenté par la formule (1) dans laquelle R1 est constitué d'un groupe carbonyle et R2 représente un groupe hydrocarbyle, dans laquelle ledit composé cyclique est encore substitué, ou un de ses sels acceptable sur le plan pharmaceutique. Ce composé sert à préparer un médicament conçu pour exercer un ou plusieurs des effets suivants: modulation de la libération du calcium intracellulaire depuis un réservoir contrôlé par phosphate de dinucléotide-adénine d'acide nicotinique; modulation des pics de calcium dans des cellules mammifères; traitement de maladies atteignant un ou plusieurs des organes ou cellules suivants: cerveau, coeur, cellules pancréatiques (par exemple, cellules acineuses ou beta pancréatiques), cellules immunes, lymphocytes T, cellules hématopoïétiques comprenant des phagocytes; traitement de maladies atteignant un ou plusieurs des organes ou cellules suivantes: cerveau, coeur, cellules pancréatiques (par exemple, cellules acineuses ou beta pancréatiques), cellules immunes, lymphocytes T, cellules hématopoïétiques comprenant des phagocytes par modulation de la libération du calcium intercellulaire depuis un réservoir contrôlé par phosphate de dinucléotide-adénine d'acide nicotinique; traitement de maladies affectant soit le cerveau, soit le coeur, ou les lymphocytes T ou les trois par modulation des pics de calcium dans des cellules mammifères.
• [EN] THERAPEUTICS USE OF PYRIDINIUM COMPOUNDS TO MODULATE NAADP ACTIVITY<br/>[FR] COMPOSES THERAPEUTIQUES
  申请人：UNIV BATH

  公开号：WO2005054198A3

  公开（公告）日：2005-09-15