4-[(1H-1-吡唑)苯基]乙腈 | 143426-55-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4-[(1H-1-吡唑)苯基]乙腈
• 英文名称: 2-(4-(1H-pyrazol-1-yl)phenyl)acetonitrile
• 英文别名: [4-(1H-pyrazol-1-yl)phenyl]acetonitrile；2-(4-pyrazol-1-ylphenyl)acetonitrile
• CAS: 143426-55-5
• 化学式: C₁₁H₉N₃
• mdl: MFCD08691146
• 分子量: 183.213
• InChiKey: QGSWQGPKRSYWGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  41.6
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933199090

反应信息

• 作为反应物：
  描述：

  4-[(1H-1-吡唑)苯基]乙腈 在 盐酸 、 水 作用下， 反应 1.0h， 以800 mg的产率得到[4-(1H-吡唑-1-基)苯基]乙酸
  参考文献：
  名称：

  [EN] ANTI-TUMOR COMPOSITIONS AND METHODS
  [FR] COMPOSITIONS ANTITUMORALES ET MÉTHODES

  摘要：

  本文介绍了一种包含噻唑和/或异喹啉的新型化合物，可用于治疗癌症以及治疗和/或预防病毒感染。还介绍了治疗和/或预防广谱病毒感染的方法。这些化合物已被证明可以在基于细胞的实验中抑制人类巨细胞病毒、流感病毒和冠状病毒的复制。

  公开号：

  WO2022147210A1
• 作为产物：
  描述：

  1-(4-羟甲基苯基)吡唑 在 氯化亚砜 作用下， 以 乙腈 为溶剂， 反应 5.0h， 生成 4-[(1H-1-吡唑)苯基]乙腈
  参考文献：
  名称：

  Aromatic hydrazides as specific inhibitors of bovine serum amine oxidase

  摘要：

  New hydrazides were synthesized in search for specific inhibitors of bovine serum amine oxidase: a series of benzoic and phenylacetic acid hydrazides containing the 1H-imidazol-1-yl or the 1H-imidazol-1-ylmethyl group as (o, m, p)-substituent in the phenyl ring; an analogous series of p-substituted phenylhydrazides with 5 or 6-membered heterocyclic ring as substituent, and a series of similar phenylpropionic hydrazides. The longer and more flexible phenylacetic hydrazides, and to a somewhat lesser extent the phenylpropionic ones, were better specific inhibitors of bovine serum amine oxidase than the benzoic hydrazides, which were also bound by the enzyme with high affinity, but at a slow rate. Derivatives with p- and m -substituents were more reactive than the o-substituted ones. The chemical nature of the substituent was less important than its position in the phenyl ring and the presence of methylene spacers. These data point to the presence of a hydrophobic site at short distance from the protein carbonyl cofactor, so that simultaneous interaction of the 2 ends of the inhibitor molecule can occur at the 2 sites. The presence of the hydrophobic site was confirmed by the capability of some molecule deprived of the hydrazidic group to act as mild inhibitors. All hydrazides were less reactive by 2-3 orders of magnitude towards pig kidney diamine oxidase and FAD-dependent monoamine oxidase from rat brain mitochondria, while the other compounds showed similar inhibition power against all proteins. The specificity for the bovine enzyme seems therefore to be related to the concerted action of the 2 moieties of the inhibitor molecule.

  DOI：

  10.1016/0223-5234(92)90005-l

文献信息

• KHMDS mediated synthesis of 9-arylfluorenes from dibenzothiophene dioxides and arylacetonitriles by tandem S_NAr-decyanation-based arylation
  作者：Saketh Mylavarapu、Mamta Yadav、M. Bhanuchandra

  DOI：10.1039/c8ob02355g

  日期：——

  A straightforward KHMDS mediated synthetic route to 9-arylfluorenes from readily available starting materials has been developed.

  已开发出一种直接的KHMDS介导合成路线，可从易获得的起始材料合成9-芳基芴。
• Crf Receptor Antagonists and Methods Relating Thereto
  申请人：Luo Zhiyong

  公开号：US20070287705A1

  公开（公告）日：2007-12-13

  CRF receptor antagonists are disclosed which have utility in the treatment of a variety of disorders, including the treatment of disorders manifesting hypersecretion of CRF in a warm blooded animals, such as stroke. The CRF receptor antagonists of this invention have the following structure (I), including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof, wherein R1, R2, R3, Y, Ar, and het are as defined herein. Compositions containing a CRF receptor antagonist in combination with a pharmaceutically acceptable carrier are also disclosed, as well as methods for use of the same.

  本发明揭示了CRF受体拮抗剂，其在治疗各种疾病中具有用途，包括治疗温血动物中CRF分泌过多表现的疾病，例如中风。本发明的CRF受体拮抗剂具有以下结构（I），包括立体异构体、前药和其药物可接受的盐，其中R1、R2、R3、Y、Ar和het的定义如下。本发明还揭示了含有CRF受体拮抗剂和药物可接受载体的组合物，以及使用它们的方法。
• Crf Receptor Antagonists and Methods
  申请人：Luo Zhiyong

  公开号：US20070293511A1

  公开（公告）日：2007-12-20

  CRF receptor antagonists are disclosed which have utility in the treatment of a variety of disorders, including the treatment of disorders manifesting hypersecretion of CRF in a warm-blooded animals, such as stroke. The CRF receptor antagonists of this invention have the following structure: including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof, wherein R 1 , R 2 , R 3 , Y, Ar, and Het are as defined herein. Compositions containing a CRF receptor antagonist in combination with a pharmaceutically acceptable carrier are also disclosed, as well as methods for use of the same.

  本发明揭示了具有治疗多种疾病的用途的CRF受体拮抗剂，包括治疗在恒温动物中表现为CRF过度分泌的疾病，如中风。本发明的CRF受体拮抗剂具有以下结构：包括立体异构体、前药和药学上可接受的盐，其中R1、R2、R3、Y、Ar和Het的定义如本文所述。还揭示了含有CRF受体拮抗剂和药学上可接受的载体的组合物，以及使用它们的方法。
• US4239901A
  申请人：——

  公开号：US4239901A

  公开（公告）日：1980-12-16
• US7737154B2
  申请人：——

  公开号：US7737154B2

  公开（公告）日：2010-06-15