N-propyl-3-carbamoylpyridinium bromide | 52047-79-7

• 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: N-propyl-3-carbamoylpyridinium bromide
• 英文别名: 1-propyl-3-carbamoylpyridinium bromide；3-carbamoyl-1-propylpyridinium bromide；1-propyl-3-carbamoyl-pyridin-1-ium bromide；1-Propylpyridin-1-ium-3-carboximidate;hydrobromide
• CAS: 52047-79-7
• 化学式: Br*C₉H₁₃N₂O
• 分子量: 245.119
• InChiKey: UQUPGRHWORGUHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.51
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  47
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  N-propyl-3-carbamoylpyridinium bromide 在 ammonium hydroxide 作用下， 生成 1,1'-dipropyl-1,4,1',4'-tetrahydro-[4,4']bipyridyl-3,3'-dicarboxylic acid diamide
  参考文献：
  名称：

  Variability of Ostrich Egg Production on a Farm in Northern Italy

  摘要：

  In Italy, ostrich breeding is a growing business, due to consumer demands for alternative meat, but little information is available on egg production. The purpose of this study was to describe productive and reproductive performance on an ostrich farm in northern Italy and to identify factors influencing egg and chick weight. Eggs were collected from five trios (one male per two females), incubated, and candled at 13, 26, and 38 d. Egg weight was recorded at collection, at set, and at each candling. Chicks were weighed at hatch. Fertility was 69.7%, whereas hatchability of egg set and of fertile eggs were 51.5 and 73.9%, respectively. Egg weight was 1,558 and 1,530 g at collection and at set, respectively, and the mean egg weight loss (14.2%) from set to 38 d was in the normal range for ostriches. There was a positive association between egg weight at collection and both egg weight during incubation and chick weight. Egg weight at set and at first candling decreased as storage time increased (-3.5 and -2.9 g/d, respectively). Eggs laid in March were heavier and had the greatest weight losses. Results show that the main source of variability for egg weight as well as fertility and hatchability was the trio rather than environmental conditions.

  DOI：

  10.1093/japr/11.3.332
• 作为产物：
  描述：

  烟酰胺 、 溴丙烷 以 乙腈 为溶剂， 反应 1.5h， 以71%的产率得到N-propyl-3-carbamoylpyridinium bromide
  参考文献：
  名称：

  设计用来模拟甲基化反应过渡态的烟酰胺N-甲基转移酶抑制剂

  摘要：

  烟酰胺N-甲基转移酶（NNMT）是一种催化烟酰胺甲基化以形成N的酶′-甲基烟酰胺。NNMT及其甲基化产物最近都与多种疾病有关，这表明该酶作为其治疗目标的作用已超出其先前在排毒中赋予的代谢功能。我们在这里描述了来自参与甲基化反应的底物结构的NNMT抑制剂的系统开发。通过共价连接NNMT底物的片段，制备了多种双底物样化合物库。评估了这些化合物抑制NNMT的能力，为了解酶活性位点的结构耐受性提供了宝贵的见识。

  DOI：

  10.1039/c7ob01357d

文献信息

• Crystal structures of two simple N-substituted dihydronicotinamides: possible implications for stereoelectronic arguments in enzymology
  作者：Arthur. Glasfeld、Peter. Zbinden、Max. Dobler、Steven A. Benner、Jack D. Dunitz

  DOI：10.1021/ja00223a040

  日期：1988.7

  effect on the weak interactions would underlie the “similarity recognition hyp~thesis”~~ that the three-dimensional shape similarity between groups in reacting molecules is responsible for more specific and precise molecular recognition than would otherwise be achieved. Moreover, the shape-specific weak interacrions between groups in reacting molecules have recently been shown to control chemical ~electivity

  上述对弱相互作用的影响将成为“相似性识别假设”的基础~~即反应分子中基团之间的三维形状相似性是导致比其他方式更具体和精确的分子识别的原因。此外，反应分子中基团之间形状特定的弱相互作用最近已被证明可以控制化学选择性。~~这种弱相互作用主要来自色散相互作用或色散和偶极诱导偶极相互作用。虽然这种相互作用取决于相互作用的基团（分子）之间的相对角取向，但本方法当然无法阐明相互作用焓的取向依赖性。
• Nad(p)+-nad(p)H model. Reduction of pyridinium salts to 1,4-dihydropyridines using glyceraldehyde
  作者：Atsuyoshi Ohno、Satoshi Ushida、Shinzaburo Oka

  DOI：10.1016/s0040-4039(00)87376-1

  日期：1982.1

  N-Substituted 3-carbamoylpyridinium salts were reduced by glyceraldehyde to give 1,4-dihydronicotinamide derivatives, which may be regarded as a model for oxidation by glyceraldehyde-3-phosphate dehydrogenase.

  用甘油醛还原N-取代的3-氨基甲酰基吡啶鎓盐，得到1,4-二氢烟碱酰胺衍生物，该衍生物可被认为是通过甘油醛-3-磷酸脱氢酶氧化的模型。
• Ciusa et al., Gazzetta Chimica Italiana, 1950, vol. 80, p. 604,606, 608
  作者：Ciusa et al.

  DOI：——

  日期：——
• A Study of the Primary Acid Reaction on Model Compounds of Reduced Diphosphopyridine Nucleotide^1,2
  作者：Arthur G. Anderson、Gerald Berkelhammer

  DOI：10.1021/ja01537a063

  日期：1958.2
• Gautier; Renault, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1948, vol. 226, p. 1736,1738
  作者：Gautier、Renault

  DOI：——

  日期：——