4-amino-1-(2-deoxy-α-D-erythro-pentofuranosyl)-1H-pyrazolo[3,4-d]pyrimidine | 253688-71-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 英文名称: 4-amino-1-(2-deoxy-α-D-erythro-pentofuranosyl)-1H-pyrazolo[3,4-d]pyrimidine
• 英文别名: (2R,3S,5S)-5-(4-Amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol；(2R,3S,5S)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
• CAS: 253688-71-0
• 化学式: C₁₀H₁₃N₅O₃
• 分子量: 251.245
• InChiKey: GQDCTRKQKKYCHJ-RNJXMRFFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  119
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-[2-deoxy-3,5-di-O-(p-toluoyl)-α-D-erythro-pentofuranosyl]-4-methoxy-1H-pyrazolo[3,4-d]pyrimine 在 1,4-二氧六环 、 氨 、 水 作用下， 反应 6.0h， 以49%的产率得到4-amino-1-(2-deoxy-α-D-erythro-pentofuranosyl)-1H-pyrazolo[3,4-d]pyrimidine
  参考文献：
  名称：

  The anomers of 8-aza-7-deaza-2'-deoxyadenosine

  摘要：

  The structures of 4-amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1H-pyrazolo[3,4-d]pyrimidine, (I), and 4-amino-1-(2-deoxy-alpha-D-erythro-pentofuranosyl)-1H-pyrazolo[3,4-d]pyrimidine, (II), both C10H13N5O3, have been determined. The sugar puckering of both compounds is C-2'-endo-C-3'exo (T-2'(3')) (S-type sugar). The N-glycosidic torsion angle chi(1) is in the anti range [-106.3 (2)degrees for (I) and 111.5 (3)degrees for (II)] and the crystal structure is stabilized by hydrogen bonds.

  DOI：

  10.1107/s010827019901015x

文献信息

• US6211158B1
  申请人：——

  公开号：US6211158B1

  公开（公告）日：2001-04-03
• The anomers of 8-aza-7-deaza-2'-deoxyadenosine
  作者：F. Seela、M. Zulauf、H. Reuter、G. Kastner

  DOI：10.1107/s010827019901015x

  日期：1999.11.15

  The structures of 4-amino-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1H-pyrazolo[3,4-d]pyrimidine, (I), and 4-amino-1-(2-deoxy-alpha-D-erythro-pentofuranosyl)-1H-pyrazolo[3,4-d]pyrimidine, (II), both C10H13N5O3, have been determined. The sugar puckering of both compounds is C-2'-endo-C-3'exo (T-2'(3')) (S-type sugar). The N-glycosidic torsion angle chi(1) is in the anti range [-106.3 (2)degrees for (I) and 111.5 (3)degrees for (II)] and the crystal structure is stabilized by hydrogen bonds.