N-[1,4,5,6-四氢-5-(甲基氨基)-4-氧代-吡啶-2-基]-乙酰胺 | 939402-75-2

• 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
• 中文名称: N-[1,4,5,6-四氢-5-(甲基氨基)-4-氧代-吡啶-2-基]-乙酰胺
• 英文名称: 3,6-diamino-1,2,3,4-tetrahydropyridine-4-one
• 英文别名: Acetamide,N-[1,4,5,6-tetrahydro-5-(methylamino)-4-oxo-pyridin-2-YL]-；N-[3-(methylamino)-4-oxo-2,3-dihydro-1H-pyridin-6-yl]acetamide
• CAS: 939402-75-2
• 化学式: C₈H₁₃N₃O₂
• 分子量: 183.21
• InChiKey: VOCFILYYQDYBPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  70.2
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  N-[1,4,5,6-四氢-5-(甲基氨基)-4-氧代-吡啶-2-基]-乙酰胺 在 palladium on activated charcoal 氢气 、 silver perchlorate 、 三乙胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 (3S)-N-(6-acetamido-4-oxo-2,3-dihydro-1H-pyridin-3-yl)-3-amino-6-(diaminomethylideneamino)-N-methylhexanamide
  参考文献：
  名称：

  A facile construction of the 3,6-diamino-1,2,3,4-tetrahydropyridine-4-one scaffold: synthesis of N-3 to carbon replacement analog of TAN-1057A/B

  摘要：

  A facile construction of the 3,6-diamino-1,2,3,4-tetrahydropyridine-4-one class of compounds is described. Compound 2, a carbon analog at the N-3 position of TAN-1057A/B, was synthesized using this approach. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.03.008
• 作为产物：
  描述：

  benzyl 6-acetamido-3-[methyl(phenylmethoxycarbonyl)amino]-4-oxo-2,3-dihydro-1H-pyridine-5-carboxylate 在 palladium on activated charcoal 氢气 、 三氟乙酸 作用下， 以 甲醇 、 水 为溶剂， 生成 N-[1,4,5,6-四氢-5-(甲基氨基)-4-氧代-吡啶-2-基]-乙酰胺
  参考文献：
  名称：

  A facile construction of the 3,6-diamino-1,2,3,4-tetrahydropyridine-4-one scaffold: synthesis of N-3 to carbon replacement analog of TAN-1057A/B

  摘要：

  A facile construction of the 3,6-diamino-1,2,3,4-tetrahydropyridine-4-one class of compounds is described. Compound 2, a carbon analog at the N-3 position of TAN-1057A/B, was synthesized using this approach. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.03.008

文献信息

• SAR studies on dihydropyrimidinone antibiotics
  作者：Lianhong Xu、Lijun Zhang、Robert Jones、Clifford Bryant、Nina Boddeker、Eric Mabery、Gina Bahador、Julia Watson、Jeffery Clough、Murty Arimilli、Wendy Gillette、Dorothy Colagiovanni、Keyu Wang、Craig Gibbs、Choung U. Kim

  DOI：10.1016/j.bmcl.2011.01.099

  日期：2011.3

  There is an urgent need for the development of novel antimicrobial agents that offer effective treatment against MRSA. Using a new class of dipeptide antibiotic TAN-1057A/B as lead, we designed, synthesized and evaluated analogs of TAN-1057A/B. Several novel dihydropyrimidinone antibiotics demonstrating comparable antibiotic efficacy while possessing favorable selectivity were identified. (C) 2011 Elsevier Ltd. All rights reserved.
• A facile construction of the 3,6-diamino-1,2,3,4-tetrahydropyridine-4-one scaffold: synthesis of N-3 to carbon replacement analog of TAN-1057A/B
  作者：Lijun Zhang、Choung U. Kim、Lianhong Xu

  DOI：10.1016/j.tetlet.2007.03.008

  日期：2007.4

  A facile construction of the 3,6-diamino-1,2,3,4-tetrahydropyridine-4-one class of compounds is described. Compound 2, a carbon analog at the N-3 position of TAN-1057A/B, was synthesized using this approach. (c) 2007 Elsevier Ltd. All rights reserved.