2,4-二氯-6-哌啶基嘧啶 | 213201-98-0

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2,4-二氯-6-哌啶基嘧啶
• 中文别名: 2,4-二氯-6-(1-哌啶基)嘧啶
• 英文名称: 2,4-dichloro-6-(piperidin-1-yl)pyrimidine
• 英文别名: 2,4-dichloro-6-piperidin-1-ylpyrimidine
• CAS: 213201-98-0
• 化学式: C₉H₁₁Cl₂N₃
• 分子量: 232.112
• InChiKey: CASRJOHSHYGIKB-UHFFFAOYSA-N

物化性质

• 沸点：
  372.1±27.0 °C(Predicted)
• 密度：
  1.349

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  29
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  2,4-二氯-6-哌啶基嘧啶 在 tris-(dibenzylideneacetone)dipalladium(0) 、 potassium tert-butylate 、 N,N-二异丙基乙胺 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 1,4-二氧六环 、 正丁醇 为溶剂， 生成 N4-(3-fluoro-4-methoxyphenyl)-N2-(4-methoxyphenyl)-6-(piperidin-1-yl)pyrimidine-2,4-diamine
  参考文献：
  名称：

  Synthesis and biological evaluation of novel pyrimidine derivatives as sub-micromolar affinity ligands of GalR2

  摘要：

  GalR1 and GalR2 represent unique pharmacological targets for treatment of seizures and epilepsy. A novel series of 2,4,6-triaminopyrimidine derivatives were synthesized and found to have sub-micromolar affinity for GalR2. Optimization of a series of 2,4,6-triaminopyrimidines led to the discovery of several analogs with IC50 values ranging from 0.3 to 1 mu M. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.033
• 作为产物：
  描述：

  哌啶 、 2,4,6-三氯嘧啶 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 以67%的产率得到2,4-二氯-6-哌啶基嘧啶
  参考文献：
  名称：

  一种构象限制策略，用于鉴定高度选择性的嘧啶-吡咯并恶嗪mTOR抑制剂。

  摘要：

  雷帕霉素（mTOR）的机械靶标在生长和肿瘤进展中起着关键作用，并且是治疗癌症的有吸引力的靶标。ATP竞争性mTOR激酶抑制剂（TORKi）有潜力克服雷帕霉素衍生物在多种恶性肿瘤中的局限性。在本文中，我们利用构象限制方法探索了一种新的化学空间，用于产生TORKi。结构-活性关系（SAR）研究导致鉴定出与I类PI3K同工型相比，对mTOR的选择性约为450倍的化合物12b。在雄性Sprague Dawley大鼠中进行的药代动力学研究表明，口服给药后良好的暴露量和最低的脑渗透率。CYP450反应型表型指出12b的高代谢稳定性。这些结果确定了三环嘧啶基-吡咯并恶嗪部分是开发用于癌症治疗的高选择性mTOR抑制剂的新型支架。

  DOI：

  10.1021/acs.jmedchem.9b00972

文献信息

• [EN] HEPATITIS B VIRAL ASSEMBLY EFFECTORS<br/>[FR] EFFECTEURS D'ASSEMBLAGE DE VIRUS DE L'HÉPATITE B
  申请人：UNIV INDIANA RES & TECH CORP

  公开号：WO2016168619A1

  公开（公告）日：2016-10-20

  Novel assembly effector compounds having a therapeutic effect against hepatitis B viral (HBV) infection are disclosed. Assembly effector molecules described herein can lead to defective viral assembly and also may affect other viral activities associated with chronic HBV infection. Also disclosed is a process to synthesize disclosed compounds, method of treatment of HBV by administration of disclosed compounds, and use of these compounds in the manufacture of medicaments against HBV.

  揭示了一种对乙型肝炎病毒（HBV）感染具有治疗效果的新型组装效应子化合物。本文描述的组装效应子分子可以导致病毒组装缺陷，也可能影响与慢性HBV感染相关的其他病毒活动。还公开了一种合成所述化合物的方法，通过给予所述化合物治疗HBV的方法，以及利用这些化合物制造针对HBV的药物的用途。
• Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods
  申请人：——

  公开号：US20030078271A1

  公开（公告）日：2003-04-24

  This invention is directed to pyrimidine and indolone derivatives which are selective antagonists for the GAL3 receptor. The invention provides a pharmaceutical composition comprising a therapeutically effective amount of a compound of the invention and a pharmaceutically acceptable carrier. This invention also provides a pharmaceutical composition made by combining a therapeutically effective amount of a compound of the invention and a pharmaceutically acceptable carrier. This invention further provides a process for making a pharmaceutical composition comprising combining a therapeutically effective amount of a compound of the invention and a pharmaceutically acceptable carrier. This invention also provides a method of treating a subject suffering from depression and/or anxiety which comprises administering to the subject an amount of a compound of the invention effective to treat the subject's depression and/or anxiety. This invention also provides a method of treating depression and/or anxiety in a subject which comprises administering to the subject a composition comprising a pharmaceutically acceptable carrier and a therapeutically effective amount of a GAL3 receptor antagonist.

  这项发明涉及嘧啶和吲哚酮衍生物，它们是选择性GAL3受体拮抗剂。该发明提供了一种包含该发明化合物的治疗有效量和药用载体的药物组合物。该发明还提供了通过结合该发明化合物的治疗有效量和药用载体制备的药物组合物。该发明进一步提供了一种制备药物组合物的方法，包括结合该发明化合物的治疗有效量和药用载体。该发明还提供了一种治疗患有抑郁症和/或焦虑症的受试者的方法，包括向受试者施用足以治疗受试者抑郁症和/或焦虑症的该发明化合物的量。该发明还提供了一种治疗受试者抑郁症和/或焦虑症的方法，包括向受试者施用包含药用载体和治疗有效量GAL3受体拮抗剂的组合物。
• GAL3 antagonists for the treatment of neuropathic pain
  申请人：——

  公开号：US20040092570A1

  公开（公告）日：2004-05-13

  This invention is directed to pyrimidine and indolone derivatives which are selective antagonists for the GAL3 receptor and are useful for the treatment of neuropathic pain and other abnormalities. This invention also provides a method of treating a subject suffering from an abnormality which comprises administering to the subject an amount of a compound of the invention effective to treat the subject's abnormality. This invention also provides a method of treating an abnormality in a subject which comprises administering to the subject a composition comprising a pharmaceutically acceptable carrier and a therapeutically effective amount of a GAL3 receptor antagonist.

  这项发明涉及嘧啶和吲哚酮衍生物，它们是选择性的GAL3受体拮抗剂，可用于治疗神经病痛和其他异常。这项发明还提供了一种治疗患有异常的受试者的方法，包括向受试者投予本发明中的化合物的有效剂量以治疗受试者的异常。这项发明还提供了一种治疗受试者异常的方法，包括向受试者投予包含药用载体和治疗有效量的GAL3受体拮抗剂的组合物。
• GAL3 receptor antagonists for the treatment of affective disorders
  申请人：——

  公开号：US20040110821A1

  公开（公告）日：2004-06-10

  This invention is directed to pyrimidine and indolone derivatives which are selective antagonists for the GAL3 receptor. This invention provides a method of treating a subject suffering from an affective disorder which comprises administering to the subject an amount of a compound of the invention effective to treat the subject's affective disorder. This invention also provides a method of treating an affective disorder in a subject which comprises administering to the subject a composition comprising a pharmaceutically acceptable carrier and a therapeutically effective amount of a GAL3 receptor antagonist. This invention further provides a process for making a pharmaceutical composition comprising combining a therapeutically effective amount of a compound of the invention and a pharmaceutically acceptable carrier.

  这项发明涉及选择性拮抗剂对GAL3受体的嘧啶和吲哚酮衍生物。该发明提供了一种治疗患有情感障碍的受试者的方法，包括向受试者施用一定量的该发明化合物，以有效治疗受试者的情感障碍。该发明还提供了一种治疗受试者情感障碍的方法，包括向受试者施用包含药用可接受载体和治疗有效量GAL3受体拮抗剂的组合物。该发明进一步提供了一种制备药物组合物的方法，包括结合该发明化合物的治疗有效量和药用可接受载体。
• Novel antiallergic agents. Part I: Synthesis and pharmacology of pyrimidine amide derivatives
  作者：Masakazu Ban、Hiroaki Taguchi、Takeo Katsushima、Shoichi Aoki、Akihiko Watanabe

  DOI：10.1016/s0968-0896(98)00064-9

  日期：1998.7

  We have synthesized many pyrimidine amide derivatives. Novel pyrimidine bis-glycolic amide derivatives showed moderate inhibition in the rat passive cutaneous anaphylaxis (PCA) assay by oral administration. Among these compounds, 2,4-bis(methoxyacetylamino)-6-piperidinopyrimidine (2i) exhibited significant inhibition. However the compound (2i) did not inhibit antigen-induced histamine or SRS-A release

  我们已经合成了许多嘧啶酰胺衍生物。新型嘧啶双乙醇酰胺衍生物在口服给药的大鼠被动皮肤过敏反应（PCA）分析中显示出中等抑制作用。在这些化合物中，2,4-双（甲氧基乙酰氨基）-6-哌啶子基嘧啶（2i）表现出显着的抑制作用。但是，化合物（2i）在低于10（-4）M时不抑制抗原诱导的组胺或SRS-A从豚鼠的肺碎片中释放。2i衍生物在大鼠PCA分析中也具有显着或中等活性。在酰胺PCA测定中，在酰胺羰基的α位上没有氧原子的化合物2h和没有酰胺羰基的化合物17没有显示出抑制作用。我们认为，酰胺羰基和酰胺羰基α位的氧原子均在抑制大鼠PCA反应中起重要作用。这些嘧啶双乙醇酰胺衍生物具有新颖的结构和独特的活性，表明它们可能在治疗过敏性疾病中可能有用。