1-(4-((S)-3-((R)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl)-2-hydroxypropoxy)phenyl)urea

• 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: 1-(4-((S)-3-((R)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl)-2-hydroxypropoxy)phenyl)urea
• 英文别名: [4-[(2S)-3-[(2R)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl]-2-hydroxypropoxy]phenyl]urea
• 化学式: C₂₁H₂₇ClN₄O₃
• 分子量: 418.923
• InChiKey: PRAUTJXYXPLCGI-BEFAXECRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  91.1
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-(4-羟基苯基)脲 在 左旋环氧氯丙烷 、 三乙胺 、 potassium hydroxide 作用下， 以 甲醇 、 乙醇 、 水 、 异丙醇 为溶剂， 反应 22.0h， 生成 1-(4-((S)-3-((R)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl)-2-hydroxypropoxy)phenyl)urea
  参考文献：
  名称：

  NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION

  摘要：

  公开号：

  EP2170334B1

文献信息

• NMDA Receptor Antagonists for Neuroprotection
  申请人：Liotta Dennis C.

  公开号：US20090253710A1

  公开（公告）日：2009-10-08

  Provided are compounds, pharmaceutical compositions and methods of treatment or prophylaxis of disorders associated with NMDA receptor activity, including neuropathic pain, stroke, traumatic brain injury, epilepsy, and related neurologic events or neurodegeneration. Compounds are of the general Formula I, or a pharmaceutically acceptable salt, ester, prodrug or derivative thereof are provided: wherein: each (L) k -Ar 1 is a substituted or unsubstituted, mono or bicyclic aryl or heteroaryl; W is a bond, alkyl, or alkenyl; X is a bond, NR 1 or O and each R 1 and R 2 is independently H, alkyl, alkenyl or aralkyl or R 1 and R 2 taken together form a 5-8 membered ring; R 3− R 6 are selected from certain specific substituents or a carbonyl; Y is a bond, O, S, SO, SO 2 , CH 2 , NH, N(alkyl), or NHC(═O); and Z is OH, NR 6 R 7 , NR 8 SO 2 (alkyl), NR 8 C(O)NR 6 R 7 , NR 8 C(O)O(alkyl), NR 8 -dihydrothiazole, or NR 8 -dihydroimidazole or wherein Z can fuse with Ar 2 to form selected heterocycles.

  提供了与NMDA受体活性相关的疾病治疗或预防的化合物、制药组合物和方法，包括神经病理性疼痛、中风、创伤性脑损伤、癫痫和相关的神经事件或神经退行性疾病。提供了通式I的化合物或其药学上可接受的盐、酯、前药或衍生物: 其中：每个（L）k-Ar1是取代或未取代的、单环或双环芳基或杂环芳基；W是键、烷基或烯基；X是键、NR1或O，每个R1和R2是独立的H、烷基、烯基或芳基烷基，或R1和R2共同形成5-8成员环；R3-R6选自特定的取代基或羰基；Y是键、O、S、SO、SO2、CH2、NH、N（烷基）或NHC（═O）；Z是OH、NR6R7、NR8SO2（烷基）、NR8C（O）NR6R7、NR8C（O）O（烷基）、NR8-二氢噻唑或NR8-二氢咪唑，或Z可以与Ar2融合形成选择的杂环。
• NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders
  申请人：Dingledine Raymond J.

  公开号：US20110160223A1

  公开（公告）日：2011-06-30

  Provided are pharmaceutical compositions and methods of treatment or prophylaxis of certain neuropsychiatric conditions, in particular mood disorders. The compounds are of the general Formula I-V as described herein.
• US8420680B2
  申请人：——

  公开号：US8420680B2

  公开（公告）日：2013-04-16
• US9079852B2
  申请人：——

  公开号：US9079852B2

  公开（公告）日：2015-07-14
• [EN] NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION<br/>[FR] ANTAGONISTES DES RÉCEPTEURS NMDA POUR LA NEUROPROTECTION
  申请人：UNIV EMORY

  公开号：WO2009006437A1

  公开（公告）日：2009-01-08

  Provided are compounds, pharmaceutical compositions and methods of treatment or prophylaxis of disorders associated with NMDA receptor activity, including neuropathic pain, stroke, traumatic brain injury, epilepsy, and related neurologic events or neurodegeneration. Compounds are of the general Formula I, or a pharmaceutically acceptable salt, ester, prodrug or derivative thereof are provided: Formula I wherein: each (L)k-Ar1 is a substituted or unsubstituted, mono or bicyclic aryl or heteroaryl; W is a bond, alkyl, or alkenyl; X is a bond, NR1 or O and each R1 and R2 is independently H, alkyl, alkenyl or aralkyl or R1 and R2 taken together form a 5-8 membered ring; R3 R6 are selected from certain specific substituents or a carbonyl; Y is a bond, O, S, SO, SO2, CH2, NH, N(alkyl), or NHC(=0); and Z is OH, NR6R7, NR8SO2(alkyl), NR8C(O)NR6R7, NR8C(O)O(alkyl), NR8- dihydrothiazole, or NR8-dihydroimidazole or wherein Z can fuse with Ar2 to form selected heterocycles.