3-(烟酰-2,4,5,6-d4)-2-吡咯烷酮 | 764661-25-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-(烟酰-2,4,5,6-d4)-2-吡咯烷酮
• 英文名称: 3-(2,4,5,6-tetradeuterio-nicotinoyl)pyrrolidin-2-one
• 英文别名: 3-(Nicotinoyl-2,4,5,6-d4)-2-pyrrolidinone；3-(2,4,5,6-tetradeuteriopyridine-3-carbonyl)pyrrolidin-2-one
• CAS: 764661-25-8
• 化学式: C₁₀H₁₀N₂O₂
• 分子量: 194.17
• InChiKey: PFGRGKSTHPJNLQ-QSHLYVKESA-N

物化性质

• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  59.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(烟酰-2,4,5,6-d4)-2-吡咯烷酮 在 盐酸 、 sodium tetrahydroborate 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 2,4,5,6-tetradeuterio-nornicotine
  参考文献：
  名称：

  Synthesis of Partially Deuterated N -Nitrosamines ? New Standards in Tobacco-smoke Analysis

  摘要：

  N-Nitrosamines of tobacco alkaloids contribute to the cause of tobacco related cancers and, therefore, they are important analytes. Herein the preparation of four partially deuterated N-nitrosamines from simple, commercially available, deuterated educts is described, which can serve as useful standards in tobacco-smoke analysis.

  DOI：

  10.1007/s00706-003-0152-8
• 作为产物：
  描述：

  1-三甲基硅基吡咯酮 、 烟酸乙酯-D4 在 正丁基锂 、 二异丙胺 作用下， 以 乙醚 为溶剂， 反应 0.33h， 生成 3-(烟酰-2,4,5,6-d4)-2-吡咯烷酮
  参考文献：
  名称：

  Synthesis of Partially Deuterated N -Nitrosamines ? New Standards in Tobacco-smoke Analysis

  摘要：

  N-Nitrosamines of tobacco alkaloids contribute to the cause of tobacco related cancers and, therefore, they are important analytes. Herein the preparation of four partially deuterated N-nitrosamines from simple, commercially available, deuterated educts is described, which can serve as useful standards in tobacco-smoke analysis.

  DOI：

  10.1007/s00706-003-0152-8

文献信息

• Compositions and methods for treating nasal and paranasal mucosa diseases with nicotinic acetylcholine receptor agonists
  申请人：Solis Herrera Arturo

  公开号：US10639300B2

  公开（公告）日：2020-05-05

  Methods of treating and preventing conditions of a nasal or paranasal mucous membrane are described. The methods include administering a pharmaceutical composition including a nicotinic acetylcholine receptor (nAChR) agonist, such as (S)-(1-methyl-2-pyrrolidinyl)-pyridine, or a pharmaceutically acceptable salt, analog, precursor or derivative thereof. The methods can be used to treat a wide variety of conditions of the nasal or paranasal mucous membrane, such as nasal congestion and nose bleeds.

  本文描述了治疗和预防鼻腔或副鼻腔粘膜疾病的方法。这些方法包括施用药物组合物，其中包括烟碱乙酰胆碱受体（nAChR）激动剂，如(S)-(1-甲基-2-吡咯烷基)-吡啶，或其药学上可接受的盐、类似物、前体或衍生物。这些方法可用于治疗鼻腔或副鼻黏膜的各种疾病，如鼻塞和鼻出血。
• COMPOSITIONS AND METHODS FOR TREATING PARANASAL MUCOSA DISEASES WITH NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS
  申请人：Solis Herrera, Arturo

  公开号：EP3442583A2

  公开（公告）日：2019-02-20
• COMPOSITIONS AND METHODS FOR TREATING NASAL AND PARANASAL MUCOSA DISEASES WITH NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS
  申请人：SOLIS HERRERA Arturo

  公开号：US20190111038A1

  公开（公告）日：2019-04-18

  Methods of treating and preventing conditions of a nasal or paranasal mucous membrane are described. The methods include administering a pharmaceutical composition including a nicotinic acetylcholine receptor (nAChR) agonist, such as (S)-(1-methyl-2-pyrrolidinyl)-pyridine, or a pharmaceutically acceptable salt, analog, precursor or derivative thereof. The methods can be used to treat a wide variety of conditions of the nasal or paranasal mucous membrane, such as nasal congestion and nose bleeds.
• [EN] COMPOSITIONS AND METHODS FOR TREATING PARANASAL MUCOSA DISEASES WITH NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS<br/>[FR] COMPOSITIONS ET MÉTHODES POUR LE TRAITEMENT DE MALADIES DES MUQUEUSES PARANASALES À L'AIDE D'AGONISTES DES RÉCEPTEURS NICOTINIQUES À L'ACÉTYLCHOLINE
  申请人：SOLIS HERRERA ARTURO

  公开号：WO2017178897A2

  公开（公告）日：2017-10-19

  Methods of treating and preventing conditions of a nasal or paranasal mucous membrane are described. The methods include administering a pharmaceutical composition including a nicotinic acetylcholine receptor (nAChR) agonist, such as (S)-(l-methyl-2- pyrrolidinyl)-pyridine, or a pharmaceutically acceptable salt, analog, precursor or derivative thereof. The methods can be used to treat a wide variety of conditions of the nasal or paranasal mucous membrane, such as nasal congestion and nose bleeds.
• Synthesis of Partially Deuterated N -Nitrosamines ? New Standards in Tobacco-smoke Analysis
  作者：Peter G�rtner、Katharina Bica、Christian Einzinger

  DOI：10.1007/s00706-003-0152-8

  日期：2004.5.1

  N-Nitrosamines of tobacco alkaloids contribute to the cause of tobacco related cancers and, therefore, they are important analytes. Herein the preparation of four partially deuterated N-nitrosamines from simple, commercially available, deuterated educts is described, which can serve as useful standards in tobacco-smoke analysis.