1-[4-chloro-2-[(1S)-1-hydroxy-1-phenylethyl]phenyl]-3-ethylthiourea | 950513-41-4

• 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: 1-[4-chloro-2-[(1S)-1-hydroxy-1-phenylethyl]phenyl]-3-ethylthiourea
• CAS: 950513-41-4
• 化学式: C₁₇H₁₉ClN₂OS
• 分子量: 334.87
• InChiKey: PSQXUHVOOSIWTL-KRWDZBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  76.4
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-[4-chloro-2-[(1S)-1-hydroxy-1-phenylethyl]phenyl]-3-ethylthiourea 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 47.0h， 生成 6-chloro-2-(ethylamino)-4-methyl-4-phenyl-4H-3,1-benzoxazine
  参考文献：
  名称：

  WO2007/109289

  摘要：

  公开号：
• 作为产物：
  描述：

  (S)-1-(2-amino-5-chlorophenyl)-1-phenylethanol 、 异硫氰酸乙酯 以 正庚烷 、 甲苯 为溶剂， 反应 4.0h， 以87.5%的产率得到1-[4-chloro-2-[(1S)-1-hydroxy-1-phenylethyl]phenyl]-3-ethylthiourea
  参考文献：
  名称：

  WO2007/109289

  摘要：

  公开号：

文献信息

• Enantiomerically pure S-etifoxine, pharmaceutical compositions thereof and methods of their use
  申请人：Putman David

  公开号：US20080038331A1

  公开（公告）日：2008-02-14

  Enantiomerically pure S-etifoxine and pharmaceutically acceptable salts, solvates, hydrates or prodrugs thereof are provided. Also provided are pharmaceutical compositions comprising the compounds and methods of treating disorders associated with central nervous system using the compounds and pharmaceutical compositions.
• Enantiomerically pure R-etifoxine, pharmaceutical compositions thereof and methods of their use
  申请人：Putman David

  公开号：US20080039453A1

  公开（公告）日：2008-02-14

  Enantiomerically pure R-etifoxine and pharmaceutically acceptable salts, solvates, hydrates or prodrugs thereof are provided. Also provided are pharmaceutical compositions comprising the compounds and methods of treating disorders associated with central nervous system using the compounds and pharmaceutical compositions.
• US8110569B2
  申请人：——

  公开号：US8110569B2

  公开（公告）日：2012-02-07
• [EN] ENANTIOMERICALLY PURE S-ETIFOXINE, PHARMACEUTICAL COMPOSITIONS THEREOF AND METHODS OF THEIR USE<br/>[FR] S-ETIFOXINE ÉNANTIOMÉRIQUEMENT PURE, COMPOSITIONS PHARMACEUTIQUES ET MÉTHODES D'UTILISATION CORRESPONDANTES
  申请人：XYTIS INC

  公开号：WO2007109289A1

  公开（公告）日：2007-09-27

  [EN] Enantiomerically pure S-etifoxine and pharmaceutically acceptable salts, solvates, hydrates or prodrugs thereof are provided. Also provided are pharmaceutical compositions comprising the compounds and methods of treating disorders associated with central nervous system using the compounds and pharmaceutical compositions.
  [FR] L'invention a pour objet du S-étifoxine énantiomériquement pure et ses sels, solvates, hydrates ou promédicaments pharmaceutiquement acceptables. L'invention concerne également des compositions pharmaceutiques qui comprennent les composés et des méthodes pour traiter des troubles associées au système nerveux central utilisant lesdits composés et lesdites compositions pharmaceutiques.
• [EN] ENANTIOMERICALLY PURE R-ETIFOXINE, PHARMACEUTICAL COMPOSITIONS THEREOF AND METHODS OF THEIR USE<br/>[FR] R-ÉTIFOXINE ÉNANTIOMÉRIQUEMENT PURE, SES COMPOSITIONS PHARMACEUTIQUES ET PROCÉDÉS DE LEUR UTILISATION
  申请人：XYTIS INC

  公开号：WO2007109288A2

  公开（公告）日：2007-09-27

  [EN] Enantiomerically pure R-etifoxine and pharmaceutically acceptable salts, solvates, hydrates or prodrugs thereof are provided. Also provided are pharmaceutical compositions comprising the compounds and methods of treating disorders associated with central nervous system using the compounds and pharmaceutical compositions.
  [FR] La présente invention concerne la R-étifoxine énantiomériquement pure et ses sels, solvates, hydrates ou promédicaments pharmaceutiquement acceptables. La présente invention concerne également des compositions pharmaceutiques contenant les composés, et les procédés de traitement de troubles associés au système nerveux central utilisant lesdits composés et lesdites compositions pharmaceutiques.