3-amino-4-chloro-1,5-dimethyl-1H-pyrazole | 1006320-25-7

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 3-amino-4-chloro-1,5-dimethyl-1H-pyrazole
• 英文别名: 4-chloro-1,5-dimethyl-1H-pyrazol-3-amine；4-chloro-1,5-dimethylpyrazol-3-amine
• CAS: 1006320-25-7
• 化学式: C₅H₈ClN₃
• mdl: MFCD04970042
• 分子量: 145.592
• InChiKey: SCZVIPXNYIVPRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-amino-4-chloro-1,5-dimethyl-1H-pyrazole 、 2-(3-iodo-1-methyl-1H-indazol-6-yl)propan-2-ol 生成 2-{3-[(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)amino]-1-methyl-1H-indazol-6-yl}propan-2-ol
  参考文献：
  名称：

  HETEROCYCLIC COMPOUND

  摘要：

  The present invention provides a compound having a cell degeneration inhibitory action, particularly a motor neuron degeneration inhibitory action, which is useful as an agent for the prophylaxis or treatment of motor neuron diseases (e.g., amyotrophic lateral sclerosis, progressive bulbar paralysis, progressive muscular atrophy, primary lateral sclerosis, progressive pseudobulbar paralysis, spinal muscular atrophy, Parkinson's disease, Lewy body dementia, multiple-system atrophy, Friedreich's ataxia) and the like. The present invention relates to a compound represented by the formula (I): wherein each symbol is as described in the specification, or a salt thereof.

  公开号：

  US20230322683A1
• 作为产物：
  描述：

  3-氨基-1,5-二甲基吡唑 在 sodium hypochlorite 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 5.0h， 以70%的产率得到3-amino-4-chloro-1,5-dimethyl-1H-pyrazole
  参考文献：
  名称：

  NaOCl和NaOBr水溶液中N-烷基-3-氨基吡唑与偶氮吡唑的氧化N-N偶联

  摘要：

  研究了N-烷基-3-氨基吡唑的结构对其在次卤酸钠处理中向偶氮吡唑转化的影响。在4位含有供体取代基的未取代的3-氨基吡唑与次卤酸钠的中性溶液的反应导致3,3'-偶氮吡唑（产率1–40％）和4,4'-二卤-3,3'-偶氮吡唑的混合物（收率20–79％）。在这种情况下，通过向反应混合物中添加NaOH，有利于3，3'-偶氮吡唑的产生。在N-N氨基吡唑与芳香环中的受体取代基偶合即使在中性介质中也能选择性形成3,3'-偶氮吡唑。4-取代的3-氨基吡唑与NaOBr的反应仅产生3,3'-偶氮吡唑。讨论了所有上述过程的发生规律。

  DOI：

  10.1007/s11172-021-3072-z

文献信息

• SUBSTITUTED PIPERAZINES
  申请人：Pennell Andrew M.K.

  公开号：US20080261987A1

  公开（公告）日：2008-10-23

  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.

  提供了一种作为CCR1受体强效拮抗剂的化合物，已经在动物炎症测试中进一步确认，这是CCR1标志性疾病状态之一。这些化合物通常是芳基哌嗪衍生物，可用于制药组合物、治疗CCR1介导疾病的方法，以及用作竞争性CCR1拮抗剂鉴定的控制物。
• US7449576B1
  申请人：——

  公开号：US7449576B1

  公开（公告）日：2008-11-11
• Oxidative N—N coupling of N-alkyl-3-aminopyrazoles to azopyrazoles in aqueous solutions of NaOCl and NaOBr
  作者：B. V. Lyalin、V. L. Sigacheva、B. I. Ugrak、V. A. Petrosyan

  DOI：10.1007/s11172-021-3072-z

  日期：2021.1

  3,3′-azopyrazoles (yields 1–40%) and 4,4′-dihalo-3,3′-azopyrazoles (yields 20–79%). In this case, generation of 3,3′-azopyrazoles is favored by the addition of NaOH to the reaction mixture. The N—N coupling of aminopyrazoles with acceptor substituents in the aromatic ring results in the selective formation of 3,3′-azopyrazoles even in neutral media. The reactions of 4-substituted 3-aminopyrazoles with

  研究了N-烷基-3-氨基吡唑的结构对其在次卤酸钠处理中向偶氮吡唑转化的影响。在4位含有供体取代基的未取代的3-氨基吡唑与次卤酸钠的中性溶液的反应导致3,3'-偶氮吡唑（产率1–40％）和4,4'-二卤-3,3'-偶氮吡唑的混合物（收率20–79％）。在这种情况下，通过向反应混合物中添加NaOH，有利于3，3'-偶氮吡唑的产生。在N-N氨基吡唑与芳香环中的受体取代基偶合即使在中性介质中也能选择性形成3,3'-偶氮吡唑。4-取代的3-氨基吡唑与NaOBr的反应仅产生3,3'-偶氮吡唑。讨论了所有上述过程的发生规律。
• HETEROCYCLIC COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US20230322683A1

  公开（公告）日：2023-10-12

  The present invention provides a compound having a cell degeneration inhibitory action, particularly a motor neuron degeneration inhibitory action, which is useful as an agent for the prophylaxis or treatment of motor neuron diseases (e.g., amyotrophic lateral sclerosis, progressive bulbar paralysis, progressive muscular atrophy, primary lateral sclerosis, progressive pseudobulbar paralysis, spinal muscular atrophy, Parkinson's disease, Lewy body dementia, multiple-system atrophy, Friedreich's ataxia) and the like. The present invention relates to a compound represented by the formula (I): wherein each symbol is as described in the specification, or a salt thereof.