3-methoxy-4-(tetrahydro-2H-pyran-4-yl)aniline | 1610766-78-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-methoxy-4-(tetrahydro-2H-pyran-4-yl)aniline
• 英文别名: 3-Methoxy-4-(oxan-4-yl)aniline
• CAS: 1610766-78-3
• 化学式: C₁₂H₁₇NO₂
• 分子量: 207.272
• InChiKey: RMLHZOGAPNVSSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  44.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-methoxy-4-(tetrahydro-2H-pyran-4-yl)aniline 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 (R)-1-cyanobutan-2-yl ((S)-1-(3-(3-(3-methoxy-4-(tetrahydro-2H-pyran-4-yl)phenyl)ureido)phenyl)ethyl)carbamate
  参考文献：
  名称：

  Design, synthesis and biological evaluation of novel inosine 5′-monophosphate dehydrogenase (IMPDH) inhibitors

  摘要：

  This study is based on our attempts to further explore the structure-activity relationship (SAR) of VX-148 (3) in an attempt to identify inosine 5'-mono-phosphate dehydrogenase (IMPDH) inhibitors superior to mycophenolic acid. A five-point pharmacophore developed using structurally diverse, known IMPDH inhibitors guided further design of novel analogs of 3. Several conventional as well as novel medicinal chemistry strategies were tried. The combined structure-and ligand-based approaches culminated in a few analogs with either retained or slightly higher potency. The compounds which retained the potency were also checked for their ability to inhibit human peripheral blood mononuclear cells proliferation. This study illuminates the stringent structural requirements and strict SAR for IMPDH II inhibition.

  DOI：

  10.3109/14756366.2013.793184

文献信息

• 2,4-DIAMINOPYRIMIDINE DERIVATIVE AND APPLICATION THEREOF
  申请人：Shanghai Zheye Biotechnology Co., Ltd.

  公开号：EP3904347A1

  公开（公告）日：2021-11-03

  The present invention relates to a 2,4-diaminopyrimidine derivative, pharmaceutically acceptable salts thereof, hydrates, solvates or stereoisomers, and a preparation method thereof and an application of the compound used separately or in combination with other drugs in treating diseases having ALK2 kinase-mediated pathological features

  本发明涉及一种 2,4-二氨基嘧啶衍生物、其药学上可接受的盐、水合物、溶剂或立体异构体及其制备方法，以及该化合物在治疗具有 ALK2 激酶介导的病理特征的疾病中单独使用或与其他药物联合使用的应用。
• [EN] 2,4-DIAMINOPYRIMIDINE DERIVATIVE AND APPLICATION THEREOF<br/>[FR] DÉRIVÉ DE 2,4-DIAMINOPYRIMIDINE ET SON APPLICATION<br/>[ZH] 2,4-二氨基嘧啶衍生物及其用途
  申请人：SHANGHAI ZHEYE BIOTECHNOLOGY CO LTD

  公开号：WO2020135488A1

  公开（公告）日：2020-07-02

  本发明涉及一类2,4-二氨基嘧啶衍生物，其药学上可接受的盐、水合物、溶剂化物或立体异构体，及其制备方法以及该类化合物单独或与其他药物联合使用在治疗具有ALK2激酶介导的病理学特征的疾病中的应用。（I）
• EP3904347
  申请人：——

  公开号：——

  公开（公告）日：——