2-(4-(吡啶-3-基)哌嗪-1-基)乙腈 | 1067659-15-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 2-(4-(吡啶-3-基)哌嗪-1-基)乙腈
• 英文名称: 2-(4-(pyridin-3-yl)piperazin-1-yl)acetonitrile
• 英文别名: (4-pyridin-3-yl-piperazin-1-yl)-acetonitrile；2-(4-(Pyridin-3-yl)piperazin-1-yl)acetonitrile；2-(4-pyridin-3-ylpiperazin-1-yl)acetonitrile
• CAS: 1067659-15-7
• 化学式: C₁₁H₁₄N₄
• 分子量: 202.259
• InChiKey: RUJWLMIZFOKTNR-UHFFFAOYSA-N

物化性质

• 沸点：
  373.2±42.0 °C(Predicted)
• 密度：
  1.143±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  43.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(4-(吡啶-3-基)哌嗪-1-基)乙腈 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 2-(4-(pyridin-3-yl)piperazin-1-yl)ethanamine
  参考文献：
  名称：

  [EN] PURINE DERIVATIVES AS ANTICANCER AGENTS
  [FR] DÉRIVÉS DE PURINE UTILISÉS EN TANT QU'AGENTS ANTICANCÉREUX

  摘要：

  化合物按照公式（I）提供。公式（I），以及药学上可接受的盐，水合物，溶剂物，前药，互变异构体和立体异构体，以及药物组成物，其中环B，环A，RA，Rb，Rc，Rc'，R1，R2，R6，m和n如本文所定义。本文所披露的化合物被认为对预防和治疗多种疾病有用。

  公开号：

  WO2022197892A1
• 作为产物：
  描述：

  氯乙腈 、 1-(3-吡啶基)哌嗪 在 potassium carbonate 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以79%的产率得到2-(4-(吡啶-3-基)哌嗪-1-基)乙腈
  参考文献：
  名称：

  Further delineation of hydrophobic binding sites in dopamine D2/D3 receptors for N-4 substituents on the piperazine ring of the hybrid template 5/7-{[2-(4-aryl-piperazin-1-yl)-ethyl]-propyl-amino}-5,6,7,8-tetrahydro-naphthalen-2-ol

  摘要：

  Here we report a structure-activity relationship (SAR) study of analogues of 5/7-{[2-(4-aryl-piperazin-1-yl)- ethyl]-propyl-amino}-5,6,7,8-tetrahydro-naphthalen-2-ol. Our SAR is focused on introduction of various substitutions in the piperazine ring of the hybrid template. The goal behind this study is to delineate the nature of the binding pocket for N-aryl substitution in the piperazine ring by observing the effect of various hydrophobic and other heteroaromatic substitutions on binding affinity (K-i), as measured with tritiated spiperone and HEK-293 cells expressing either D-2 or D-3 receptors. Functional activity of selected compounds was assessed with the GTP gamma S binding assay. Compound 8d was the most selective for the D-3 receptor in the spiperone binding assay. An interesting similarity in binding affinity was observed between isoquinoline derivative D-301 and the 2-substituted pyridine derivative 8d, suggesting the importance of relative spatial relationships between the N-atom of the ligand and the molecular determinants of the binding pocket in D-2/D-3 receptors. Functional activity assays demonstrated high potency and selectivity of (+)-8a and (-)-28b (D-2/D-3 (ratio of EC50): 105 and 202, respectively) for the D-3 receptor and both compounds were more selective compared to the reference drug ropinirole (D-2/D-3 (ratio of EC50): 29.5). (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.06.025

文献信息

• 3-imidazolyl-indoles for the treatment of proliferative diseases
  申请人：Novartis AG

  公开号：US08053457B2

  公开（公告）日：2011-11-08

  The invention relates to 3-heterocyclyl indolyl compounds of formula I capable of inhibiting the interaction between p53, or variants thereof, and MDM2 and/or MDM4, or variants thereof, respectively: wherein R1, R2, R3, R4, RA, Y and Y are as defined in the specification. Due to their activity, the compounds are useful in the treatment of various disorders and diseases mediated by the activity of MDM2 and/or MDM4, or variants thereof, such as inflammatory or proliferative diseases or in the protection of cells.

  本发明涉及式I的3-杂环基吲哚化合物，能够抑制p53或其变异体与MDM2和/或MDM4或其变异体之间的相互作用：其中R1，R2，R3，R4，RA，Y和Y如说明书所定义。由于其活性，这些化合物在治疗由MDM2和/或MDM4或其变异体活性介导的各种疾病和疾病，如炎症或增殖性疾病或细胞保护方面是有用的。
• 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases
  申请人：Boettcher Andreas

  公开号：US20100125064A1

  公开（公告）日：2010-05-20

  The invention relates to 3-heterocyclyl indolyl compounds capable of inhibiting the interaction between p53, or variants thereof, and MDM2 and/or MDM4, or variants thereof, respectively, said compounds having the formula I, wherein R 1 , R 2 , R 3 , R 4 , R A , Y and Y are as defined in the specification. Due to their activity, the compounds are useful in the treatment of various disorders and diseases mediated by the activity of MDM2 and/or MDM4, or variants thereof, such as inflammatory or proliferative diseases or in the protection of cells.

  本发明涉及能够抑制p53或其变体与MDM2和/或MDM4或其变体相互作用的3-杂环基吲哚化合物，其中所述化合物具有式I，其中R1、R2、R3、R4、RA、Y和Y的定义见说明书。由于其活性，这些化合物可用于治疗由MDM2和/或MDM4或其变体介导的各种疾病和疾病，例如炎症性或增殖性疾病或细胞保护。
• [EN] PURINE DERIVATIVES AS ANTICANCER AGENTS<br/>[FR] DÉRIVÉS DE PURINE UTILISÉS EN TANT QU'AGENTS ANTICANCÉREUX
  申请人：TANGO THERAPEUTICS INC

  公开号：WO2022197892A1

  公开（公告）日：2022-09-22

  Compounds are provided according to Formula (I). Formula (I), and pharmaceutically acceptable salts, hydrates, solvates, prodrugs, tautomers and. stereoisomers, as well as pharmaceutical compositions, wherein Ring B, Ring A, RA, Rb, Rc, Rc', R1, R2, R6, m and n are as defined herein. The compounds disclosed herein are contemplated to be useful for the prevention and treatment of a variety of conditions.

  化合物按照公式（I）提供。公式（I），以及药学上可接受的盐，水合物，溶剂物，前药，互变异构体和立体异构体，以及药物组成物，其中环B，环A，RA，Rb，Rc，Rc'，R1，R2，R6，m和n如本文所定义。本文所披露的化合物被认为对预防和治疗多种疾病有用。
• 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES
  申请人：Novartis AG

  公开号：EP2142535A2

  公开（公告）日：2010-01-13
• US8053457B2
  申请人：——

  公开号：US8053457B2

  公开（公告）日：2011-11-08