(R)-2-(3-氟苯基)吡咯烷盐酸盐 | 1364890-61-8

• 物质功能分类: 医药中间体
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: (R)-2-(3-氟苯基)吡咯烷盐酸盐
• 英文名称: (R)-2-(3-fluorophenyl)pyrrolidine hydrochloride
• 英文别名: (2R)-2-(3-fluorophenyl)pyrrolidine hydrochloride；(2R)-2-(3-fluorophenyl)pyrrolidine;hydrochloride
• CAS: 1364890-61-8
• 化学式: C₁₀H₁₂FN*ClH
• 分子量: 201.671
• InChiKey: IXZAULRSYOOKSM-HNCPQSOCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.67
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  12
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  (R)-2-(3-氟苯基)吡咯烷盐酸盐 在 铁粉 、 溶剂黄146 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 0.75h， 生成 2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-5-amine
  参考文献：
  名称：

  [EN] NOVEL HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA
  [FR] NOUVEAUX MODULATEURS HÉTÉROAROMATIQUES DU RÉCEPTEUR GAMMA ORPHELIN ASSOCIÉ AU RÉTINOÏDE

  摘要：

  本发明涉及符合一般式(I)的化合物。该发明还涉及所述化合物在治疗中的应用，包括含有所述化合物的药物组合物以及用于制备所述化合物的中间体。

  公开号：

  WO2020035557A1

文献信息

• COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS
  申请人：Fan Yi

  公开号：US20120065184A1

  公开（公告）日：2012-03-15

  The invention provides compounds, pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent diseases or disorders associated with abnormal or deregulated TRK kinase activity.

  该发明提供了化合物、包含该化合物的药物组合物以及使用该化合物治疗或预防与TRK激酶活性异常或失调相关的疾病或病症的方法。
• (<i>R</i>)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors
  作者：Ha-Soon Choi、Paul V. Rucker、Zhicheng Wang、Yi Fan、Pamela Albaugh、Greg Chopiuk、Francois Gessier、Fangxian Sun、Francisco Adrian、Guoxun Liu、Tami Hood、Nanxin Li、Yong Jia、Jianwei Che、Susan McCormack、Allen Li、Jie Li、Auzon Steffy、AnneMarie Culazzo、Celine Tompkins、Van Phung、Andreas Kreusch、Min Lu、Bin Hu、Apurva Chaudhary、Mahavir Prashad、Tove Tuntland、Bo Liu、Jennifer Harris、H. Martin Seidel、Jon Loren、Valentina Molteni

  DOI：10.1021/acsmedchemlett.5b00050

  日期：2015.5.14

  Deregulated kinase activities of tropomyosin receptor kinase (TRK) family members have been shown to be associated with tumorigenesis and poor prognosis in a variety of cancer types. In particular, several chromosomal rearrangements involving TRKA have been reported in colorectal, papillary thyroid, glioblastoma, melanoma, and lung tissue that are believed to be the key oncogenic driver in these tumors. By screening the Novartis compound collection, a novel imidazopyridazine TRK inhibitor was identified that served as a launching point for drug optimization. Structure guided drug design led to the identification of (R)-2-phenylpyrrolidine substituted imidazopyridazines as a series of potent, selective, orally bioavailable pan-TRK inhibitors achieving tumor regression in rats bearing KM12 xenografts. From this work the (R)-2-phenylpyrrolidine has emerged as an ideal moiety to incorporate in bicyclic TRK inhibitors by virtue of its shape complementarity to the hydrophobic pocket of TRKs.
• IMIDAZO [1, 2]PYRIDAZIN COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS
  申请人：IRM LLC

  公开号：EP2614062A1

  公开（公告）日：2013-07-17
• US8637516B2
  申请人：——

  公开号：US8637516B2

  公开（公告）日：2014-01-28
• [EN] IMIDAZO [1, 2] PYRIDAZIN COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS<br/>[FR] COMPOSÉS ET COMPOSITIONS À TITRE D'INHIBITEURS DE TRK
  申请人：IRM LLC

  公开号：WO2012034091A1

  公开（公告）日：2012-03-15

  The invention provides compounds of formula (I), pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent diseases or disorders associated with abnormal or deregulated TRK kinase activity.