ethyl <(R)-5-amino-1,2-dihydro-2-methyl-3-phenylpyrido<3,4-b>pyrazin-7-yl>carbamate | 122332-17-6

• 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: ethyl <(R)-5-amino-1,2-dihydro-2-methyl-3-phenylpyrido<3,4-b>pyrazin-7-yl>carbamate
• 英文别名: ethyl (R)-5-amino-1,2-dihydro-2-methyl-3-phenylpyrido<3,4-b>pyrazine-7-carbamate；(R)-(+)-ethyl 5-amino 2-methyl-1,2-dihydro-3-phenylpyrido[3,4-b]pyrazin-7-yl carbamate；(S)-(-)-ethyl 5-amino-2-methyl-1,2-dihydro-3-phenylpyrido[3,4-b]pyrazin-7-yl carbamate；R-(+) ethyl 5-amino-2-methyl-1,2-dihydro-3-phenylpyrido-[3,4-b]pyrazin-7-yl-carbamate；Ethyl (+)-(R)-(5-amino-1,2-dihydro-2-methyl-3-phenylpyrido[3,4-b]pyrazin-7-yl) Carbamate；ethyl ((R)-5-amino-1,2-dihydro-2-methyl-3-phenylpyrido[3,4-b]pyrazin-7-yl)carbamate；Ethyl [(2r)-5-Amino-2-Methyl-3-Phenyl-1,2-Dihydropyrido[3,4-B]pyrazin-7-Yl]carbamate；ethyl N-[(2R)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
• CAS: 122332-17-6
• 化学式: C₁₇H₁₉N₅O₂
• 分子量: 325.37
• InChiKey: XXBDOTXPQDVHIP-SNVBAGLBSA-N

物化性质

• 沸点：
  483.0±45.0 °C(Predicted)
• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  102
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  左旋去甲麻黄碱 在 镍 吡啶 、 chromium(VI) oxide 、 氢气 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 、 溶剂黄146 为溶剂， 反应 28.5h， 生成 ethyl <(R)-5-amino-1,2-dihydro-2-methyl-3-phenylpyrido<3,4-b>pyrazin-7-yl>carbamate
  参考文献：
  名称：

  New anticancer agents: chiral isomers of ethyl 5-amino-1,2-dihydro-2-methyl-3-phenylpyrido[3,4-b]pyrazine-7-carbamate

  摘要：

  Racemic ethyl 5-amino-1,2-dihydro-2-methyl-3-phenylpyrido[3,4-b]pyrazine-7- carbamate (1a) has shown antitumor activity in a variety of in vivo experiments. The preparation of the R and S isomers gave compounds with significant differences in potency in several biological tests.

  DOI：

  10.1021/jm00129a012

文献信息

• INHIBITORS OF FTSZ AND USES THEREOF
  申请人：White E. Lucile

  公开号：US20100113429A1

  公开（公告）日：2010-05-06

  The invention relates to inhibitors of FtsZ polymerization and uses thereof.
• US7718651B2
  申请人：——

  公开号：US7718651B2

  公开（公告）日：2010-05-18
• New anticancer agents: chiral isomers of ethyl 5-amino-1,2-dihydro-2-methyl-3-phenylpyrido[3,4-b]pyrazine-7-carbamate
  作者：Carroll Temple、Gregory A. Rener

  DOI：10.1021/jm00129a012

  日期：1989.9

  Racemic ethyl 5-amino-1,2-dihydro-2-methyl-3-phenylpyrido[3,4-b]pyrazine-7- carbamate (1a) has shown antitumor activity in a variety of in vivo experiments. The preparation of the R and S isomers gave compounds with significant differences in potency in several biological tests.