1-(N,N-Dimethylcarbamoyl)-pyridinium | 115685-20-6

• 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-(N,N-Dimethylcarbamoyl)-pyridinium
• 英文别名: 1-dimethylcarbamoyl-pyridinium；1-(Dimethylcarbamoyl)pyridin-1-ium；N,N-dimethylpyridin-1-ium-1-carboxamide
• CAS: 115685-20-6
• 化学式: C₈H₁₁N₂O
• 分子量: 151.188
• InChiKey: RCGNHGCURFGYGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  24.2
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• [EN] SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS<br/>[FR] RÉACTIFS DE MÉTHYLFORMYLE SUBSTITUÉ ET PROCÉDÉ D'UTILISATION DE CEUX-CI POUR MODIFIER DES PROPRIÉTÉS PHYSICOCHIMIQUES ET/OU PHARMACOCINÉTIQUES DE COMPOSÉS
  申请人：SPHAERA PHARMA PRIVATE LTD

  公开号：WO2012137225A1

  公开（公告）日：2012-10-11

  The present invention relates to the synthesis and application of novel chiral/ achiral substituted methyl formyl reagents to modify pharmaceutical agents and/or biologically active substances to modify the physicochemical, biological and/or pharmacokinetic properties of the resulting compounds from the unmodified original agent.

  本发明涉及合成和应用新型手性/非手性取代甲基甲酰试剂，用于修改药物和/或生物活性物质，以改变未经修改的原始试剂产生的化合物的物理化学、生物学和/或药代动力学性质。
• SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS
  申请人：Sphaera Pharma Pte. Ltd

  公开号：EP2693876A1

  公开（公告）日：2014-02-12
• NOVEL COMPOUNDS, THEIR SYNTHESIS AND THEIR USES
  申请人：Sphaera Pharma Pte. Ltd

  公开号：EP2903614A2

  公开（公告）日：2015-08-12
• [EN] NOVEL COMPOUNDS, THEIR SYNTHESIS AND THEIR USES<br/>[FR] NOUVEAUX COMPOSÉS, LEUR SYNTHÈSE ET LEURS UTILISATIONS
  申请人：SPHAERA PHARMA PRIVATE LTD

  公开号：WO2014054058A2

  公开（公告）日：2014-04-10

  The present invention discloses novel chemical compounds obtained by causing a covalent attachment of a modifying agent of the structure provided for formula 1, to a functional group or a heteroatom of a heterocyclic ring system in chemical compound with improved chemical and biological properties; Wherein : Y is DRUG-CO; DRUG -OCO; DRUG-NRCO, and X is selected from. With a provisio that the modification can be done at more than one functional group in the DRUG. Alternatively : Y is DRUG-CR1 R2, and X is COR, CONRR2, COOR. With a provisio that the N of the drug is attached to CR1 R2. With a provisio that the modification can be done at more than one functional group in the DRUG. G can be selected from iodide, chloride, bromide, mesylate, tosylate or tetra flouroborate or any other pharmaceutically acceptable anion. G can be either one or more counter ions to balance the charge. R, R1 and R2 are independently H, C1-C8 straight or branched chain alkyl - optionally containing 1 -3 heteroatoms selected from O, N, S, SO, or SO2; 3-7 membered cycloalkyl optionally containing 1 -3 heteroatoms selected from O, N, S, SO, or SO2 and or lower alkyl, straight or branched alkyl, alkoxy; alkaryl, aryl, heteroaryl, or alkheteroaryl; or is independently is independently part of 3-7 membered ring optionally containing additional 1 -2 heteroatoms selected from, O, N, S, SO, SO2 and also be optionally substituted with alkoxy, F or CI. The present invention also discloses a method for obtaining these compounds.