(R)-2-methyl-1-(pyridin-2-yl)piperazine | 1443748-52-4

• 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: (R)-2-methyl-1-(pyridin-2-yl)piperazine
• 英文别名: (2R)-2-methyl-1-pyridin-2-ylpiperazine
• CAS: 1443748-52-4
• 化学式: C₁₀H₁₅N₃
• 分子量: 177.249
• InChiKey: UPMQBOMVBDJTML-SECBINFHSA-N

物化性质

• 沸点：
  317.6±22.0 °C(Predicted)
• 密度：
  1.036±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  28.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  环辛烷羰基氯化物 、 (R)-2-methyl-1-(pyridin-2-yl)piperazine 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 cyclooctyl-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
  参考文献：
  名称：

  N-Acyl-N′-arylpiperazines as negative allosteric modulators of mGlu1: Identification of VU0469650, a potent and selective tool compound with CNS exposure in rats

  摘要：

  Development of SAR in an N-acyl-N'-arylpiperazine series of negative allosteric modulators of mGlu(1) using a functional cell-based assay is described in this Letter. Characterization of selected compounds in protein binding assays was used to aid in selecting VU0469650 for further profiling in ancillary pharmacology assays and pharmacokinetic studies. VU0469650 demonstrated an excellent selectivity profile and good exposure in both plasma and brain samples following intraperitoneal dosing in rats. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.05.020
• 作为产物：
  描述：

  (R)-4-Boc-2-甲基哌嗪 在 盐酸 、 tris-(dibenzylideneacetone)dipalladium(0) 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 sodium t-butanolate 作用下， 以 1,4-二氧六环 、 甲醇 、 水 为溶剂， 反应 0.17h， 生成 (R)-2-methyl-1-(pyridin-2-yl)piperazine
  参考文献：
  名称：

  N-Acyl-N′-arylpiperazines as negative allosteric modulators of mGlu1: Identification of VU0469650, a potent and selective tool compound with CNS exposure in rats

  摘要：

  Development of SAR in an N-acyl-N'-arylpiperazine series of negative allosteric modulators of mGlu(1) using a functional cell-based assay is described in this Letter. Characterization of selected compounds in protein binding assays was used to aid in selecting VU0469650 for further profiling in ancillary pharmacology assays and pharmacokinetic studies. VU0469650 demonstrated an excellent selectivity profile and good exposure in both plasma and brain samples following intraperitoneal dosing in rats. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.05.020

文献信息

• PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF
  申请人：Navitor Pharmaceuticals, Inc.

  公开号：US20180127370A1

  公开（公告）日：2018-05-10

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用它们的方法。
• New V1a receptor antagonist. Part 1. Synthesis and SAR development of urea derivatives
  作者：Gábor Szántó、Attila Makó、Ferenc Baska、Éva Bozó、Katalin Domány-Kovács、Dalma Kurkó、Attila Cselenyák、Réka Mohácsi、Krisztina Szondiné Kordás、Imre Bata

  DOI：10.1016/j.bmcl.2020.127416

  日期：2020.9

  social behavior in animals, so, extensive work has been initiated to find new vasopressin V1a receptor antagonists which can improve deteriorated social behavior in humans and can treat the core symptoms of autistic behavior, as well. Our aim was to identify new chemical entities with antagonizing effects on vasopressin V1a receptors. Starting from a moderately potent HTS hit (7), we identified a molecule

  可靠的临床前证据将血管加压素与动物的社会行为联系起来，因此，人们开始进行广泛的工作，以寻找新的血管加压素V1a受体拮抗剂，该拮抗剂可以改善人类恶化的社会行为并可以治疗自闭症行为的核心症状。我们的目标是确定对血管加压素V1a受体具有拮抗作用的新化学实体。从中等强度的HTS命中（7）开始，我们确定了具有纳摩尔结合强度和功能活性的分子（49），该分子的范围与临床测试的V1a拮抗剂的效力相同。
• Phenyl amino piperidine mTORC inhibitors and uses thereof
  申请人：Navitor Pharmaceuticals, Inc.

  公开号：US10414727B2

  公开（公告）日：2019-09-17

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用方法。
• [EN] PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE LA PHÉNYL AMINO PIPÉRIDINE MTORC ET LEURS UTILISATIONS
  申请人：NAVITOR PHARM INC

  公开号：WO2018089499A1

  公开（公告）日：2018-05-17

  The present invention provides compounds, compositions thereof, and methods of using the same.
• N-Acyl-N′-arylpiperazines as negative allosteric modulators of mGlu1: Identification of VU0469650, a potent and selective tool compound with CNS exposure in rats
  作者：Kimberly M. Lovell、Andrew S. Felts、Alice L. Rodriguez、Daryl F. Venable、Hyekyung P. Cho、Ryan D. Morrison、Frank W. Byers、J. Scott Daniels、Colleen M. Niswender、P. Jeffrey Conn、Craig W. Lindsley、Kyle A. Emmitte

  DOI：10.1016/j.bmcl.2013.05.020

  日期：2013.7

  Development of SAR in an N-acyl-N'-arylpiperazine series of negative allosteric modulators of mGlu(1) using a functional cell-based assay is described in this Letter. Characterization of selected compounds in protein binding assays was used to aid in selecting VU0469650 for further profiling in ancillary pharmacology assays and pharmacokinetic studies. VU0469650 demonstrated an excellent selectivity profile and good exposure in both plasma and brain samples following intraperitoneal dosing in rats. (C) 2013 Elsevier Ltd. All rights reserved.