(S)-3-Methyl-1-(3-trifluoromethylpyridin-2-yl)piperazine | 1065144-87-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (S)-3-Methyl-1-(3-trifluoromethylpyridin-2-yl)piperazine
• 英文别名: (3S)-3-methyl-1-[3-(trifluoromethyl)pyridin-2-yl]piperazine
• CAS: 1065144-87-7
• 化学式: C₁₁H₁₄F₃N₃
• mdl: MFCD20482582
• 分子量: 245.247
• InChiKey: JEAHPTUMWGWDOJ-QMMMGPOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.545
• 拓扑面积：
  28.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  对叔丁基苯磺酰氯 、 (S)-3-Methyl-1-(3-trifluoromethylpyridin-2-yl)piperazine 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 Arylsulfonylpiperazine, 44
  参考文献：
  名称：

  Discovery and Initial SAR of Arylsulfonylpiperazine Inhibitors of 11β-Hydroxysteroid Dehydrogenase Type 1 (11β-HSD1)

  摘要：

  High-throughput screening of a small-molecule compound library resulted in the identification of a series of arylsulfonylpiperazines that are potent and selective inhibitors of human 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1). Optimization of the initial lead resulted in the discovery of compound (R)-45 (11beta-HSD1 IC(50)=3nM).

  DOI：

  10.1016/j.bmcl.2008.05.025
• 作为产物：
  描述：

  (S)-(+)-2-甲基哌嗪 、 2-氯-3-三氟甲基吡啶 生成 (S)-3-Methyl-1-(3-trifluoromethylpyridin-2-yl)piperazine
  参考文献：
  名称：

  Discovery and Initial SAR of Arylsulfonylpiperazine Inhibitors of 11β-Hydroxysteroid Dehydrogenase Type 1 (11β-HSD1)

  摘要：

  High-throughput screening of a small-molecule compound library resulted in the identification of a series of arylsulfonylpiperazines that are potent and selective inhibitors of human 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1). Optimization of the initial lead resulted in the discovery of compound (R)-45 (11beta-HSD1 IC(50)=3nM).

  DOI：

  10.1016/j.bmcl.2008.05.025

文献信息

• IMIDAZOLIDINONE DERIVATIVES
  申请人：Dehmlow Henrietta

  公开号：US20080242677A1

  公开（公告）日：2008-10-02

  The invention is concerned with novel imidazolidinone derivatives of formula (I): wherein R 1 to R 11 and X are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds bind to LXR alpha and LXR beta and can be used in pharmaceutical compositions.

  这项发明涉及式(I)的新型咪唑烷酮衍生物：其中R1到R11和X如描述和索取中定义的那样，以及其生理学上可接受的盐。这些化合物与LXRα和LXRβ结合，可用于制备药物组合物。
• Imidazolidinone derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US07625902B2

  公开（公告）日：2009-12-01

  The invention is concerned with novel imidazolidinone derivatives of formula (I): wherein R1 to R11 and X are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds bind to LXR alpha and LXR beta and can be used in pharmaceutical compositions.

  本发明涉及式(I)的新型咪唑啉酮衍生物，其中R1至R11和X在说明书和权利要求书中定义，以及其生理上可接受的盐。这些化合物与LXR alpha和LXR beta结合，可用于制备药物组合物。
• US7625902B2
  申请人：——

  公开号：US7625902B2

  公开（公告）日：2009-12-01
• [EN] IMIDAZOLIDINONE DERIVATIVES<br/>[FR] DÉRIVÉS D'IMIDAZOLIDINONE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2008119657A1

  公开（公告）日：2008-10-09

  [EN] The invention is concerned with novel imidazolidinone derivatives of formula (I) wherein R ¹ to R ¹¹ and X are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds bind to LXR alpha and LXR beta and can be used as medicaments.
  [FR] L'invention porte sur de nouveaux dérivés d'imidazolidinone de formule (I), dans laquelle R¹ à R¹¹ et X sont tels que définis dans la description et les revendications, ainsi que sur les sels physiologiquement acceptables de ces dérivés. Ces composés se lient à LXR alpha et LXT bêta et peuvent être utilisés comme médicaments.