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4-(6-aminopurin-9-yl)-2-oxobutyric acid methyl ester | 1092082-09-1

中文名称
——
中文别名
——
英文名称
4-(6-aminopurin-9-yl)-2-oxobutyric acid methyl ester
英文别名
(keto)-DZ2002;Methyl 4-(6-aminopurin-9-yl)-2-oxobutanoate
4-(6-aminopurin-9-yl)-2-oxobutyric acid methyl ester化学式
CAS
1092082-09-1
化学式
C10H11N5O3
mdl
——
分子量
249.229
InChiKey
YLPOLZFMPSJLBM-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    -0.4
  • 重原子数:
    18
  • 可旋转键数:
    5
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.3
  • 拓扑面积:
    113
  • 氢给体数:
    1
  • 氢受体数:
    7

上下游信息

  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    4-(6-aminopurin-9-yl)-2-oxobutyric acid methyl ester 在 sodium tetrahydroborate 作用下, 以 甲醇 为溶剂, 反应 0.5h, 以60%的产率得到脱氧菇嘌甲酯
    参考文献:
    名称:
    Synthesis and biological evaluation of immunosuppressive agent DZ2002 and its stereoisomers
    摘要:
    DZ2002 and its related stereoisomers were efficiently synthesized. The optical data of (R)- and (S)-DZ2002 were disclosed here for the first time. Their inhibitory potency was evaluated on SAHase and MLR assay in the mean time. In accordance with respective inhibitory potency of SAHase, the immunosuppressive potency order was demonstrated as (S)-Z2002 > (Rac)-DZ2002 > (R)-DZ2002 > (Keto)DZ2002. These results indicate (S)-configuration of 2-chiral center in DZ2002 is important for binding with SAHase. (C) 2008 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmc.2008.09.017
  • 作为产物:
    描述:
    甲醇 、 5-(6-aminopurin-9-yl)-3-oxo-2-(triphenyl-λ5-phosphanylidene)-pentanenitrile 在 臭氧 作用下, 以 二氯甲烷 为溶剂, 反应 0.33h, 以88%的产率得到4-(6-aminopurin-9-yl)-2-oxobutyric acid methyl ester
    参考文献:
    名称:
    Synthesis and biological evaluation of immunosuppressive agent DZ2002 and its stereoisomers
    摘要:
    DZ2002 and its related stereoisomers were efficiently synthesized. The optical data of (R)- and (S)-DZ2002 were disclosed here for the first time. Their inhibitory potency was evaluated on SAHase and MLR assay in the mean time. In accordance with respective inhibitory potency of SAHase, the immunosuppressive potency order was demonstrated as (S)-Z2002 > (Rac)-DZ2002 > (R)-DZ2002 > (Keto)DZ2002. These results indicate (S)-configuration of 2-chiral center in DZ2002 is important for binding with SAHase. (C) 2008 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmc.2008.09.017
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文献信息

  • Synthesis and biological evaluation of immunosuppressive agent DZ2002 and its stereoisomers
    作者:Yang-Ming Zhang、Yu Ding、Wei Tang、Wei Luo、Min Gu、Wei Lu、Jie Tang、Jian-Ping Zuo、Fa-Jun Nan
    DOI:10.1016/j.bmc.2008.09.017
    日期:2008.10
    DZ2002 and its related stereoisomers were efficiently synthesized. The optical data of (R)- and (S)-DZ2002 were disclosed here for the first time. Their inhibitory potency was evaluated on SAHase and MLR assay in the mean time. In accordance with respective inhibitory potency of SAHase, the immunosuppressive potency order was demonstrated as (S)-Z2002 > (Rac)-DZ2002 > (R)-DZ2002 > (Keto)DZ2002. These results indicate (S)-configuration of 2-chiral center in DZ2002 is important for binding with SAHase. (C) 2008 Elsevier Ltd. All rights reserved.
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