5-(3,5-dimethoxy-4-pyrrol-1-yl-benzyl)-pyrimidine-2,4-diamine | 71125-75-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 5-(3,5-dimethoxy-4-pyrrol-1-yl-benzyl)-pyrimidine-2,4-diamine
• 英文别名: 2,4-diamino-5-[3,5-dimethoxy-4-(pyrrol-1-yl)-benzyl]pyrimidine；5-[(3,5-dimethoxy-4-pyrrol-1-ylphenyl)methyl]pyrimidine-2,4-diamine
• CAS: 71125-75-2
• 化学式: C₁₇H₁₉N₅O₂
• 分子量: 325.37
• InChiKey: UKZISKAMNXJJKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  α-(anilino-methylene)-3,5-dimethoxy-4-(pyrrol-1-yl)-hydrocinnamic acid nitrile 、 Guanidine hydrochloride 生成 5-(3,5-dimethoxy-4-pyrrol-1-yl-benzyl)-pyrimidine-2,4-diamine
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• 2,4-Diamino-5-(4-amino and 4-dimethylamino-3,5-dimethoxy
  申请人：Hoffmann-La Roche Inc.

  公开号：US04515948A1

  公开（公告）日：1985-05-07

  2,4-Diamino-5-benzylpyrimidines of the formula ##STR1## wherein R.sup.1, R.sup.2, A, Z and n are as hereinafter set forth, are described. The 2,4-diamino-5-benzylpyrimidines of the invention have useful antibacterial activity. More particularly, they inhibit bacterial dihydrofolate reductase and potentiate the antibacterial activity of sulfonamides.

  公式为##STR1##的2,4-二氨基-5-苄基嘧啶化合物被描述，其中R.sup.1，R.sup.2，A，Z和n如下所述。本发明的2,4-二氨基-5-苄基嘧啶具有有用的抗菌活性。更具体地说，它们抑制细菌二氢叶酸还原酶并增强磺胺类药物的抗菌活性。
• Orthogonal chemical inducer of dimerization
  申请人：Cornish Virginia W.

  公开号：US20090162858A1

  公开（公告）日：2009-06-25

  A method for identifying a molecule as being able to bind a protein target in a cell, comprising (a) covalently bonding the molecule to trimethoprim (TMP) to form a screening molecule, (b) introducing the screening molecule into the cell which (A) expresses (i) a first fusion protein comprising a binding domain capable of binding TMP, and (ii) a second fusion protein comprising the protein target, and (B) comprises a reporter gene, wherein one of the fusion proteins comprises a DNA-binding domain and the other fusion protein comprises a transcription activation domain and wherein expression of the reporter gene is conditioned on the proximity of the DNA-binding domain to the transcription activation domain; and (c) determining whether the screening molecule binds to the first fusion protein and to the second fusion protein by determining whether the cell expresses the reporter gene, wherein expression of the reporter gene indicates that the molecule binds the protein target and wherein lack of expression of the reporter gene indicates that the molecule does not bind the protein target.
• US4515948A
  申请人：——

  公开号：US4515948A

  公开（公告）日：1985-05-07
• US4659818A
  申请人：——

  公开号：US4659818A

  公开（公告）日：1987-04-21
• US4792557A
  申请人：——

  公开号：US4792557A

  公开（公告）日：1988-12-20