2-[2-(6-Amino-purin-9-yl)-1-bromo-ethylidene]-propane-1,3-diol | 380607-28-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 2-[2-(6-Amino-purin-9-yl)-1-bromo-ethylidene]-propane-1,3-diol
• 英文别名: 2-[2-(6-Amino-9H-purin-9-yl)-1-bromoethylidene]propane-1,3-diol；2-[2-(6-aminopurin-9-yl)-1-bromoethylidene]propane-1,3-diol
• CAS: 380607-28-3
• 化学式: C₁₀H₁₂BrN₅O₂
• 分子量: 314.142
• InChiKey: VXTQJQSOWQWAFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  110
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  ethyl 4-benzyloxy-3-benzyloxymethyl-2-butenoate 在 N-溴代丁二酰亚胺(NBS) 、 溴 、 三氯化硼 、 sodium hydride 、 二异丁基氢化铝 、 三乙胺 、 三苯基膦 、 lithium bromide 作用下， 以 二氯甲烷 、 溶剂黄146 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 生成 2-[2-(6-Amino-purin-9-yl)-1-bromo-ethylidene]-propane-1,3-diol
  参考文献：
  名称：

  NOVEL NUCLEOSIDES WITH VINYL FLUORIDE OR VINYL BROMIDE MOIETY AS OPEN-CHAIN ANALOGS OF NEPLANOCIN A

  摘要：

  Novel nucleosides with vinyl fluoride and vinyl bromide were designed, synthesized and evaluated their antiviral activities against poliovirus, HSV, HIV, and HBV.

  DOI：

  10.1081/ncn-100002350

文献信息

• Compositions and Methods for the Inhibition of Methyltransferases
  申请人：Northeastern University

  公开号：US20150057243A1

  公开（公告）日：2015-02-26

  Methods and compositions disclosed herein relate to detecting, analyzing, isolating and inhibiting methyltransferases, methyltransferase substrates, S-adenosyl-methionine-binding proteins and RNA, including for the treatment of disease.

  本文披露的方法和组合与检测、分析、分离和抑制甲基转移酶、甲基转移酶底物、S-腺苷甲硫氨酸结合蛋白和RNA有关，包括用于治疗疾病。
• [EN] COMPOSITIONS AND METHODS FOR THE INHIBITION OF METHYLTRANSFERASES<br/>[FR] COMPOSITIONS ET PROCÉDÉS D'INHIBITION DE MÉTHYLTRANSFÉRASES
  申请人：UNIV NORTHEASTERN

  公开号：WO2013151975A1

  公开（公告）日：2013-10-10

  Methods and compositions disclosed herein relate to detecting, analyzing, isolating and inhibiting methyltransferases, methyltransferase substrates, S-adenosyl-methionine-binding proteins and RNA, including for the treatment of disease.
• NOVEL NUCLEOSIDES WITH VINYL FLUORIDE OR VINYL BROMIDE MOIETY AS OPEN-CHAIN ANALOGS OF NEPLANOCIN A
  作者：Myung-Hee Choi、Chong-Kyo Lee、Lak Shin Jeong、Moon Woo Chun、Hee-Doo Kim

  DOI：10.1081/ncn-100002350

  日期：2001.3.31

  Novel nucleosides with vinyl fluoride and vinyl bromide were designed, synthesized and evaluated their antiviral activities against poliovirus, HSV, HIV, and HBV.