methanesulfonic acid 3-(4-cyano-3-trifluoromethyl-phenoxy)-3-(2,4-dimethoxy-benzylcarbamoyl)-2,2-dimethyl-propyl ester | 914100-93-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methanesulfonic acid 3-(4-cyano-3-trifluoromethyl-phenoxy)-3-(2,4-dimethoxy-benzylcarbamoyl)-2,2-dimethyl-propyl ester
• 英文别名: Methanesulfonic acid 3-(4-cyano-3-trifluoromethyl-phenoxy)-3-(2,4-dimethoxy-benzylcarbamoyl)-2,2-dimethyl-propyl ester；[3-[4-cyano-3-(trifluoromethyl)phenoxy]-4-[(2,4-dimethoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutyl] methanesulfonate
• CAS: 914100-93-9
• 化学式: C₂₄H₂₇F₃N₂O₇S
• 分子量: 544.549
• InChiKey: NTWPBUZLYCPTCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  37
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  132
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  methanesulfonic acid 3-(4-cyano-3-trifluoromethyl-phenoxy)-3-(2,4-dimethoxy-benzylcarbamoyl)-2,2-dimethyl-propyl ester 在 三乙基硅烷 、 sodium hydride 、 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 生成 Methyl 2-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-4,4-dimethyl-2-oxopyrrolidin-1-yl]acetate
  参考文献：
  名称：

  Pantolactams as androgen receptor antagonists for the topical suppression of sebum production

  摘要：

  A series of pantolactam based compounds were identified as potent antagonists for the androgen receptor (AR). Those that possessed properties suitable for topical delivery were evaluated in the validated Hamster Ear Model. Several compounds were found to be efficacious in reducing wax esters, a major component of sebum, initiating further preclinical work on these compounds. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.048
• 作为产物：
  描述：

  (+/-)-4-(4,4-dimethyl-2-oxotetrahydrofuran-3-yloxy)-2-(trifluoromethyl)benzonitrile 在 吡啶 作用下， 生成 methanesulfonic acid 3-(4-cyano-3-trifluoromethyl-phenoxy)-3-(2,4-dimethoxy-benzylcarbamoyl)-2,2-dimethyl-propyl ester
  参考文献：
  名称：

  Pantolactams as androgen receptor antagonists for the topical suppression of sebum production

  摘要：

  A series of pantolactam based compounds were identified as potent antagonists for the androgen receptor (AR). Those that possessed properties suitable for topical delivery were evaluated in the validated Hamster Ear Model. Several compounds were found to be efficacious in reducing wax esters, a major component of sebum, initiating further preclinical work on these compounds. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.048

文献信息

• Androgen modulators
  申请人：Barrett Douglas Stephen

  公开号：US20060252796A1

  公开（公告）日：2006-11-09

  The present invention is directed to a new class of benzonitriles and to their use as androgen receptor modulators. Other aspects of the invention are directed to the use of these compounds to decrease excess sebum secretions and to stimulate hair growth.

  本发明涉及一类新的苯甲腈类化合物，以及它们作为雄激素受体调节剂的用途。该发明的其他方面涉及利用这些化合物来减少多余的皮脂分泌并刺激头发生长。
• ANDROGEN MODULATORS
  申请人：Barrett Douglas Stephen

  公开号：US20070072936A1

  公开（公告）日：2007-03-29

  The present invention is directed to a new class of benzonitriles and to their use as androgen receptor modulators. Other aspects of the invention are directed to the use of these compounds to decrease excess sebum secretions and to stimulate hair growth.

  本发明涉及一类新型苯甲腈及其作为雄激素受体调节剂的用途。本发明的其他方面涉及使用这些化合物来减少多余的皮脂分泌和促进头发生长。
• US7674819B2
  申请人：——

  公开号：US7674819B2

  公开（公告）日：2010-03-09
• US7799823B2
  申请人：——

  公开号：US7799823B2

  公开（公告）日：2010-09-21
• [EN] ANDROGEN MODULATORS<br/>[FR] MODULATEURS DES ANDROGENES
  申请人：WARNER LAMBERT CO

  公开号：WO2006117677A1

  公开（公告）日：2006-11-09

  [EN] The present invention is directed to a new class of benzonitriles and to their use as androgen receptor modulators. Other aspects of the invention are directed to the use of these compounds to decrease excess sebum secretions and to stimulate hair growth.
  [FR] L'invention concerne une nouvelle classe de benzonitriles et leur utilisation comme modulateurs de récepteurs d'androgènes. D'autres aspects de l'invention concernent l'utilisation de ces composés pour réduire l'excès de sécrétions de sébum et pour stimuler la croissance capillaire.