N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide | 1418021-45-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide
• CAS: 1418021-45-0
• 化学式: C₂₆H₃₀N₂O₂
• 分子量: 402.536
• InChiKey: VQFJZXKRMYXTAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  52.6
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3,5-二甲基哌啶 、 1,2-dihydro-1-(4-methylphenyl)naphtho[1,2-e][1,3]oxazine-3-one 以 四氢呋喃 为溶剂， 生成 N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide
  参考文献：
  名称：

  Small molecule amides as potent ROR-γ selective modulators

  摘要：

  The structure-activity relationship study of a diphenylpropanamide series of ROR-gamma selective modulators is reported. Compounds were screened using chimeric receptor Gal4 DNA-binding domain (DBD)-NR ligand binding domain cotransfection assay in a two-step format. Three different regions of the scaffold were modified to assess the effects on repression of ROR-gamma transcriptional activity and potency. The lead compound 1 exhibits modest mouse pharmacokinetics and an acceptable in vitro profile which makes it a suitable in vivo probe to interrogate the functions of ROR-gamma in animal models of disease. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.11.025

文献信息

• Small molecule amides as potent ROR-γ selective modulators
  作者：Pasha M. Khan、Bahaa El-Dien M. El-Gendy、Naresh Kumar、Ruben Garcia-Ordonez、Li Lin、Claudia H. Ruiz、Michael D. Cameron、Patrick R. Griffin、Theodore M. Kamenecka

  DOI：10.1016/j.bmcl.2012.11.025

  日期：2013.1

  The structure-activity relationship study of a diphenylpropanamide series of ROR-gamma selective modulators is reported. Compounds were screened using chimeric receptor Gal4 DNA-binding domain (DBD)-NR ligand binding domain cotransfection assay in a two-step format. Three different regions of the scaffold were modified to assess the effects on repression of ROR-gamma transcriptional activity and potency. The lead compound 1 exhibits modest mouse pharmacokinetics and an acceptable in vitro profile which makes it a suitable in vivo probe to interrogate the functions of ROR-gamma in animal models of disease. (C) 2012 Elsevier Ltd. All rights reserved.