4-piperazino-pyrimidine; dihydrochloride | 2108104-90-9

• 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: 4-piperazino-pyrimidine; dihydrochloride
• 英文别名: 4-Piperazino-pyrimidin; Dihydrochlorid；4-(1-piperazinyl)pyrimidine dihydrochloride；4-(Piperazin-1-YL)pyrimidine hydrochloride；4-piperazin-1-ylpyrimidine;hydrochloride
• CAS: 2108104-90-9
• 化学式: C₈H₁₂N₄*2ClH
• 分子量: 237.132
• InChiKey: ANDWRWOZFHBFJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.31
• 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：
  41
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzoic acid 、 4-piperazino-pyrimidine; dihydrochloride 在 N,N-二异丙基乙胺 、 bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以39%的产率得到(4-(pyrimidin-4-yl)piperazin-1-yl)(4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl)methanone
  参考文献：
  名称：

  Discovery of a Highly Selective Tankyrase Inhibitor Displaying Growth Inhibition Effects against a Diverse Range of Tumor Derived Cell Lines

  摘要：

  The availability of high quality probes for specific protein targets is fundamental to the investigation of their function and their validation as therapeutic targets. We report the utilization of a dedicated chemoproteomic assay platform combining affinity enrichment technology with high resolution protein mass spectrometry to the discovery of a novel nicotinamide isoster, the tetrazoloquinoxaline 41, a highly potent and selective tankyrase inhibitor. We also describe the use of 41 to investigate the biology of tankyrase, revealing the compound induced growth inhibition of a number of tumor derived cell lines, demonstrating the potential of tankyrase inhibitors in oncology.

  DOI：

  10.1021/acs.jmedchem.7b00137
• 作为产物：
  描述：

  4-(2-chloro-pyrimidin-4-yl)-piperazine-1-carboxylic acid ethyl ester 在 sodium hydroxide 、 palladium on activated charcoal 、 platinum on activated charcoal 、 钯 作用下， 生成 4-piperazino-pyrimidine; dihydrochloride
  参考文献：
  名称：

  Piperazines. II. 1-Heterocyclicpiperazines and 1-Hetero-Cyclic-4-Carbethoxypiperazines

  摘要：

  DOI：

  10.1021/jo50017a004

文献信息

• Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof
  申请人：Bono Francoise

  公开号：US20050176722A1

  公开（公告）日：2005-08-11

  The invention relates to substituted 1-piperazinylacylpiperidine derivatives of general formula (I) in which: n is 1 or 2; p is 1 or 2; R 1 represents a halogen atom; a trifluoromethyl radical; a (C 1 -C 4 )alkyl; a (C 1 -C 4 )alkoxy; a trifluoromethoxy radical; R 2 represents a hydrogen atom or a halogen atom; R 3 represents a hydrogen atom; a group —OR 5 ; a group —CH 2 OR 5 ; a group —NR 6 R 7 ; a group —NR 8 COR 9 ; a group —NR 8 CONR 10 R 11 ; a group —CH 2 NR 12 R 13 ; a group —CH 2 NR 8 CONR 14 R 15 ; a (C 1 -C 4 )alkoxycarbonyl; a group —CONR 16 R 17 ; or else R 3 constitutes a double bond between the carbon atom to which it is attached and the adjacent carbon atom of the piperidine ring; R 4 represents an aromatic group selected from: the said aromatic groups being unsubstituted or being mono- or disubstituted by a substituent selected independently from a halogen atom; a (C 1 -C 4 )alkyl; a (C 1 -C 4 )alkoxy; a trifluoromethyl radical; Preparation process and therapeutic application.

  该发明涉及一般式(I)的取代1-哌嗪基酰基哌啶衍生物，其中：n为1或2；p为1或2；R1代表卤原子；三氟甲基基团；(C1-C4)烷基；(C1-C4)烷氧基；三氟甲氧基基团；R2代表氢原子或卤原子；R3代表氢原子；—OR5基团；—CH2OR5基团；—NR6R7基团；—NR8COR9基团；—NR8CONR10R11基团；—CH2NR12R13基团；—CH2NR8CONR14R15基团；(C1-C4)烷氧羰基；—CONR16R17基团；或者R3构成与其连接的碳原子和哌啶环的相邻碳原子之间的双键；R4代表从中选择的芳香族基：所述芳香族基未取代或者经过单取代或双取代，取代基独立选择自卤原子；(C1-C4)烷基；(C1-C4)烷氧基；三氟甲基基团；制备方法和治疗应用。
• [EN] STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS<br/>[FR] COMPOSITIONS STÉROÏDIENNES ET MÉTHODES DE TRAITEMENT DE CANCERS LIPOGÉNIQUES
  申请人：ASTEROID THERAPEUTICS

  公开号：WO2023205801A2

  公开（公告）日：2023-10-26

  The invention describes novel steroidal compounds, compositions containing the same, and methods of using the same as SREBP inhibitors, as LXR agonists, or as dual modulators of SREBP and LXR, to treat SREBP and/or LXR mediated diseases.

  本发明描述了新型类固醇化合物、含有这些化合物的组合物以及将这些化合物用作 SREBP 抑制剂、LXR 激动剂或 SREBP 和 LXR 双调节剂来治疗 SREBP 和/或 LXR 介导的疾病的方法。