1-(3,4-二氟苯基)哌嗪 | 255893-57-3

• 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: 1-(3,4-二氟苯基)哌嗪
• 英文名称: 1-(3,4-difluoro-phenyl)-piperazine
• 英文别名: N-(3,4-difluorophenyl)piperazine；1-(3,4-Difluorophenyl)piperazine
• CAS: 255893-57-3
• 化学式: C₁₀H₁₂F₂N₂
• 分子量: 198.215
• InChiKey: VRVIKRZIQWEYFB-UHFFFAOYSA-N

物化性质

• 沸点：
  107-110
• 密度：
  1.192±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  C
• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  1-(3,4-二氟苯基)哌嗪 在 palladium on activated charcoal 氢气 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 20.0 ℃ 、344.75 kPa 条件下， 反应 20.0h， 生成 2-Amino-1-[4-(3,4-difluorophenyl)piperazin-1-yl]ethanone
  参考文献：
  名称：

  From Tyrosine to Glycine:  Synthesis and Biological Activity of Potent Antagonists of the Purinergic P2X₇ Receptor

  摘要：

  The characterization of the native and recombinant P2X(7) receptor continues to be hindered by the lack of specific and subtype-selective antagonists with a "druglike" profile. However, a tyrosine derivative named KN-62 exhibits selective P2X(7) receptor-blocking properties. As a molecular simplification of KN-62, the present study was designed to evaluate the functional antagonistic properties of a novel series of glycine derivatives characterized by the presence of different phenyl-substituted piperazine moieties. Antagonistic activity of these glycine derivatives was tested on HEK293 cells transfected with the human P2X(7) receptor. The most potent P2X(7) receptor antagonist identified in this study (compound 4g) contains an o-fluorine substituent on the phenylpiperazine moiety and had an IC50 of 12.1 nM. The biological responses investigated were ATP-dependent Ca2+ influx across the plasma membrane and ethidium bromide uptake.

  DOI：

  10.1021/jm070443e
• 作为产物：
  描述：

  tert-butyl 4-(3,4-difluorophenyl)piperazine-1-carboxylate 在 盐酸 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 4.0h， 以96%的产率得到1-(3,4-二氟苯基)哌嗪
  参考文献：
  名称：

  [EN] INHIBITORS OF DIHYDROCERAMIDE DESATURASE FOR TREATING DISEASE
  [FR] INHIBITEURS DE LA DIHYDROCÉRAMIDE DÉSATURASE POUR LE TRAITEMENT D'UNE MALADIE

  摘要：

  本文披露了二氢神经酰胺脱饱和酶1（Des1）抑制剂化合物和组合物，这些化合物和组合物在治疗疾病方面非常有用，例如代谢紊乱，预期通过抑制Des1对患者具有治疗作用。还提供了在人类或动物受试者中抑制Des1活性的方法。

  公开号：

  WO2019140188A1

文献信息

• PYRROLE mTORC INHIBITORS AND USES THEREOF
  申请人：Navitor Pharmaceuticals, Inc.

  公开号：US20190389843A1

  公开（公告）日：2019-12-26

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

  本发明提供了化合物、其组合物以及使用这些化合物的方法。
• [EN] 1-ARYL-4-SUBSTITUTED PIPERAZINES DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS<br/>[FR] DERIVES DE PIPERAZINES 1-ARYL-4-SUSBTITUES UTILISES EN TANT QU'ANTAGONISTES DU CCR1 DANS LE TRAITEMENT DE L'INFLAMMATION ET DES TROUBLES IMMUNITAIRES
  申请人：CHEMOCENTRYX INC

  公开号：WO2003105853A1

  公开（公告）日：2003-12-24

  Compounds are provided that act as potent antagonists of the CCR1 receptor, and which have been further confirmed in animal testing for inflammation, one of the hallmark disease states for CCR1. The compounds are generally aryl piperazine derivatives and are useful in pharmaceutical compositions, methods for the treatment of CCR1-mediated diseases, and as controls in assays for the identification of competitive CCR1 antagonists.

  提供了作为CCR1受体强效拮抗剂的化合物，并且已经在动物炎症测试中进一步确认，炎症是CCR1的典型疾病状态之一。这些化合物通常是芳基哌嗪衍生物，在制药组合物、治疗CCR1介导疾病的方法以及用于鉴定竞争性CCR1拮抗剂的检测中具有用途。
• Compounds specific for the human alpha1d adrenergic receptor and uses thereof
  申请人：——

  公开号：US20020028760A1

  公开（公告）日：2002-03-07

  This invention is directed towards a method of inhibiting activation of a human &agr; 1d adrenergic receptor which comprises contacting the receptor with a compound so as to inhibit activation of the receptor, wherein the compound binds selectively to a human ald adrenergic receptor. This invention provides for a compound which binds selectively to a human &agr; 1d adrenergic receptor. The invention further provides a pharmaceutical composition comprising a therapeutically effective amount of the above-defined compounds and a pharmaceutically acceptable carrier. This invention further provides for a method of treating a subject afflicted with a disease which is susceptible to treatment by antagonism of the human &agr; 1d adrenergic receptor which comprises administering to the subject an amount of the above defined compounds effective to treat the disease.

  这项发明涉及一种抑制人类α1d肾上腺素受体激活的方法，包括将受体与一种化合物接触，以抑制受体的激活，其中该化合物选择性地结合到人类α1d肾上腺素受体。这项发明提供了一种选择性结合到人类α1d肾上腺素受体的化合物。该发明还提供了一种包含上述定义的化合物的治疗有效量和药学上可接受的载体的药物组合物。这项发明还提供了一种治疗患有易受人类α1d肾上腺素受体拮抗治疗的疾病的方法，包括向受试者施用上述定义的化合物的有效量以治疗疾病。
• NOVEL CARBAMOYLOXY ARYLALKANOYL ARYLPIPERAZINE COMPOUND, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND AND METHOD FOR TREATING PAIN, ANXIETY AND DEPRESSION BY ADMINISTERING THE COMPOUND
  申请人：Kwak Byong Sung

  公开号：US20110195963A1

  公开（公告）日：2011-08-11

  There is provided a novel carbamoyloxy arylalkanoyl arylpiperazine derivative compound having abundant racemic or enantiomeric characteristics, represented by the Formula 1, and pharmaceutically available salts or hydrates thereof. Also, there are provided a pharmaceutical composition for treating pain, anxiety or depression including an effective amount of the compound, and a method for treating pain, anxiety or depression in mammals by administering an effective amount of the compound to the mammals in need of treatment thereof.

  提供一种新颖的卡巴莫氧基芳基丙酰基芳基哌嗪衍生物化合物，具有丰富的外消旋或对映体特征，其化学式如下所示，并且提供其药用盐或水合物。此外，还提供了一种用于治疗疼痛、焦虑或抑郁的药物组合物，包括一定量的该化合物，并且提供了一种治疗哺乳动物疼痛、焦虑或抑郁的方法，通过向需要治疗的哺乳动物施用一定量的该化合物。
• [EN] PYRROLE mTORC INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS PYRROLES DE MTORC ET LEURS UTILISATIONS
  申请人：NAVITOR PHARM INC

  公开号：WO2018089493A1

  公开（公告）日：2018-05-17

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

  本发明提供了化合物、其组合物以及使用这些化合物的方法。