5-氨基-1H-吡唑-3-甲腈 | 125144-04-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 亚胺内酰胺
• 中文名称: 5-氨基-1H-吡唑-3-甲腈
• 英文名称: 3-amino-1H-pyrazole-5-carbonitrile
• 英文别名: 5-amino-1H-pyrazole-3-carbonitrile
• CAS: 125144-04-9
• 化学式: C₄H₄N₄
• mdl: MFCD10697811
• 分子量: 108.103
• InChiKey: CLPXHJRACWYTNN-UHFFFAOYSA-N

物化性质

• 沸点：
  472.2±25.0 °C(Predicted)
• 密度：
  1.42±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  78.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933199090

反应信息

• 作为反应物：
  描述：

  16-妊娠双烯醇酮 、 5-氨基-1H-吡唑-3-甲腈 在 potassium tert-butylate 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以64%的产率得到3β-hydroxy-5′-methyl-3′-cyano-5-en-androst[17,16-g]pyrazolo[1,5-a]pyrimidine
  参考文献：
  名称：

  合成甾体和非甾体5-甲基吡唑并[1,5- a ]嘧啶的简便方法

  摘要：

  甾体和非甾体的5-甲基吡唑并[1,5- a ]嘧啶是通过甾体/非甾体α，β-不饱和酮与3-氨基-1 H-吡唑/ 5-氨基-1 H-吡唑的反应合成的。回流条件下乙醇中存在KO t Bu。

  DOI：

  10.1016/j.tetlet.2014.04.011
• 作为产物：
  描述：

  3-硝基-5-氰基吡唑 在 溶剂黄146 、 锌 作用下， 以 水 为溶剂， 反应 6.0h， 以14%的产率得到5-氨基-1H-吡唑-3-甲腈
  参考文献：
  名称：

  4-((1H-피라졸-3-일)아미노)프탈라진-1(2H)-온 유도체 및 이를 유효성분으로 포함하는 암의 예방 또는 치료용 약학적 조성물

  摘要：

  This text appears to be a description of a pharmaceutical composition for the prevention or treatment of cancer containing a derivative of 4-((1H-pyrazol-3-yl)amino)phthalazine-1(2H)-one as an active ingredient. The derivative shows high inhibitory activity against various protein kinases, particularly excellent RET (ret proto-oncogene) enzyme inhibition, and superior proliferation inhibition effects on thyroid cancer cells and lung cancer cells expressing RET fusion genes. It suggests that this composition can be useful for the treatment of cancers such as thyroid cancer or lung cancer, especially those expressing RET fusion genes.

  公开号：

  KR20200105592A

文献信息

• [EN] JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS MODULANT LES KINASES JAK ET PROCÉDÉS POUR LES UTILISER
  申请人：AMBIT BIOSCIENCES CORP

  公开号：WO2010002472A1

  公开（公告）日：2010-01-07

  Provided herein are pyrrolotriazine compounds for treatment of JAK kinase, including JAK2 kinase mediated diseases. Also provided are pharmaceutical compositions comprising the compounds and methods of using the compounds and compositions.

  本文提供了用于治疗JAK激酶，包括JAK2激酶介导的疾病的吡咯三嗪化合物。还提供了包含这些化合物的药物组合物以及使用这些化合物和组合物的方法。
• [EN] PYRAZOLO` 1,5A! PYRIMIDINE COMPOUNDS AS ANTIVIRAL AGENTS<br/>[FR] COMPOSES DE PYRAZOLO(1,5A)PYRIMIDINE SERVANT D'AGENTS ANTIVIRAUX
  申请人：NEOGENESIS PHARMACEUTICALS INC

  公开号：WO2003101993A1

  公开（公告）日：2003-12-11

  The invention relates to the inhibition of hepatitis C virus (HCV) replication. In particular, embodiments of the invention provide compounds and methods for inhibiting HCV RNA-dependent RNA polymerase enzymatic activity. The invention also provides compositions and methods for the prophylaxis and treatment of HCV infection.

  这项发明涉及抑制丙型肝炎病毒（HCV）复制。具体而言，该发明的实施例提供了抑制HCV RNA依赖性RNA聚合酶酶活性的化合物和方法。该发明还提供了用于预防和治疗HCV感染的组合物和方法。
• ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Armstrong Robert C.

  公开号：US20120053176A1

  公开（公告）日：2012-03-01

  Provided herein is a method of preventing, treating, or ameliorating one or more symptoms of an adenosine A 3 -mediated condition, disorder, or disease, with a compound of Formula I. Also provided herein is a method of preventing, treating, or ameliorating one or more symptoms of glaucoma or ocular hypertension. Further provided herein is a method of modulating the activity of an adenosine A 3 receptor.

  本文提供了一种预防、治疗或改善腺苷A3介导的疾病、紊乱或疾病的一个或多个症状的方法，使用化合物I的方法。本文还提供了一种预防、治疗或改善青光眼或眼压增高的一个或多个症状的方法。此外，本文还提供了一种调节腺苷A3受体活性的方法。
• Synthesis and Antimicrobial Activity of Some New 5-Arylazothiazole, Pyrazolo[1,5-<i>a</i>] Pyrimidine, [1,2,4]Triazolo[4,3-<i>a</i>]Pyrimidine, and Pyrimido[1,2-<i>a</i>]Benzimidazole Derivatives Containing the Thiazole Moiety
  作者：Abdou O. Abdelhamid、Eman K. A. Abdelall、Nadia A. Abdel-Riheem、Sayed A. Ahmed

  DOI：10.1080/10426500902922933

  日期：2010.3.24

  ethanolic triethylamine. Also, pyrazolo[5,1-a]pyrimidines, 2,3,6-trisubstituted pyridines, and pyrazolo[3,4-d]pyridazines were obtained from sodium salt of 3-hydroxy-1-(4-methyl-2-phenylthiazol-5-yl)prop-2-en-1-one and different heterocyclic amines. All structures of the newly synthesized compounds were elucidated by elemental analysis, spectral data, and alternative synthetic route whenever possible. The

  1-(2-(4,5-二氢-3-(4-甲基-2-苯基噻唑-5-基)-5-苯基吡唑-1-基)-4-取代的噻唑-5-基)-2-苯基二氮烯由腙酰卤化物和 3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide 在乙醇三乙胺中合成。此外，吡唑并[5,1-a]嘧啶、2,3,6-三取代吡啶和吡唑并[3,4-d]哒嗪是从3-羟基-1-(4-甲基-2-苯基噻唑-5-基)prop-2-en-1-one 和不同的杂环胺。新合成的化合物的所有结构都通过元素分析、光谱数据和可能的替代合成路线来阐明。新合成的化合物针对不同的微生物进行了测试。补充材料可用于本文。转至出版商的在线版磷、硫、
• 4-((1H-피라졸-3-일)아미노)프탈라진-1(2H)-온 유도체 및 이를 유효성분으로 포함하는 암의 예방 또는 치료용 약학적 조성물
  申请人：VoronoiBio Inc. 보로노이바이오 주식회사(120180136950) Corp. No ▼ 120111-0875859BRN ▼146-81-00829

  公开号：KR20200105592A

  公开（公告）日：2020-09-08

  4-((1H-피라졸-3-일)아미노)프탈라진-1(2H)-온 유도체 및 이를 유효성분으로 포함하는 암의 예방 또는 치료용 약학적 조성물에 관한 것으로, 상기 유도체는 다양한 단백질 키나아제에 대하여 높은 저해활성을 나타내고, 특히, RET (ret proto-oncogene) 효소 저해능이 우수하고, RET 융합유전자를 발현하는 갑상선수질암 세포 및 폐암세포의 증식 억제 효과가 우수한 바, 암, 예를 들어, 갑상선수질암 또는 폐암의 치료에 유용하게 사용될 수 있고, 특히 RET 융합유전자가 발현된 암의 치료에 유용하게 사용될 수 있다.

  This text appears to be a description of a pharmaceutical composition for the prevention or treatment of cancer containing a derivative of 4-((1H-pyrazol-3-yl)amino)phthalazine-1(2H)-one as an active ingredient. The derivative shows high inhibitory activity against various protein kinases, particularly excellent RET (ret proto-oncogene) enzyme inhibition, and superior proliferation inhibition effects on thyroid cancer cells and lung cancer cells expressing RET fusion genes. It suggests that this composition can be useful for the treatment of cancers such as thyroid cancer or lung cancer, especially those expressing RET fusion genes.