(3s,4s)-1-{3-[2-Amino-6-(Propan-2-Yl)pyrimidin-4-Yl]-4-Hydroxyphenyl}pyrrolidine-3,4-Diol | 1318802-69-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (3s,4s)-1-{3-[2-Amino-6-(Propan-2-Yl)pyrimidin-4-Yl]-4-Hydroxyphenyl}pyrrolidine-3,4-Diol
• 英文别名: (3S,4S)-1-[3-(2-amino-6-propan-2-ylpyrimidin-4-yl)-4-hydroxyphenyl]pyrrolidine-3,4-diol
• CAS: 1318802-69-5
• 化学式: C₁₇H₂₂N₄O₃
• 分子量: 330.387
• InChiKey: VIUGBRHEHAGOFV-HOTGVXAUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  116
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4'-甲氧基乙酰苯胺 在 二硫化碳 、 六甲基磷酰三胺 、 4-二甲氨基吡啶 、 aluminum (III) chloride 、 potassium tert-butylate 、 水 、 三溴化硼 、 sodium hydride 、 potassium carbonate 、 三乙胺 、 N,N-二异丙基乙胺 、 三氟乙酸 、 sodium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 乙腈 、 叔丁醇 、 正丁醇 为溶剂， 生成 (3s,4s)-1-{3-[2-Amino-6-(Propan-2-Yl)pyrimidin-4-Yl]-4-Hydroxyphenyl}pyrrolidine-3,4-Diol
  参考文献：
  名称：

  Discovery of a novel class of 2-aminopyrimidines as CDK1 and CDK2 inhibitors

  摘要：

  A series of new 2-(2-aminopyrimidin-4-yl)phenol derivatives were synthesized as potential antitumor compounds. Substitution with pyrrolidine-3,4-diol at the 4-position of phenol provided potent inhibitory activity against CDK1 and CDK2. X-ray crystal structural studies were performed to account for the effect of the substituent on both the enzymatic and cell growth inhibitory activities. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.081

文献信息

• METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE
  申请人：Design Therapeutics, Inc.

  公开号：US20210238226A1

  公开（公告）日：2021-08-05

  The present disclosure relates to compounds and methods for modulating the expression of dmpk, atxn1, atxn2, atxn3, cacna1a, atxn7, ppp2r2br tbp, htt, jph3r ar, or atn1 and treating diseases and conditions in which dmpk, atxn1, atxn2, atxn3, cacna1a, atxn1, ppp2r2b, tbp, htt, jph3, ar, or atn1 plays an active role. The compound can be a transcription modulator molecule having a first terminus, a second terminus, and oligomeric backbone, wherein: a) the first terminus comprises a DNA-binding moiety capable of noncovalently binding to a nucleotide repeat sequence CAG or CTG; b) the second terminus comprises a protein-binding moiety binding to a regulatory molecule that modulates an expression of a gene comprising the nucleotide repeat sequence CAG or CTG; and c) the oligomeric backbone comprising a linker between the first terminus and the second terminus.
• Discovery of a novel class of 2-aminopyrimidines as CDK1 and CDK2 inhibitors
  作者：Jinho Lee、Kyoung-Hee Kim、Shinwu Jeong

  DOI：10.1016/j.bmcl.2011.05.081

  日期：2011.7

  A series of new 2-(2-aminopyrimidin-4-yl)phenol derivatives were synthesized as potential antitumor compounds. Substitution with pyrrolidine-3,4-diol at the 4-position of phenol provided potent inhibitory activity against CDK1 and CDK2. X-ray crystal structural studies were performed to account for the effect of the substituent on both the enzymatic and cell growth inhibitory activities. (C) 2011 Elsevier Ltd. All rights reserved.