• 1. Examination of the hydrogen-bonding networks in small water clusters (n = 2–5, 13, 17) using absolutely localized molecular orbital energy decomposition analysis?
  Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
• 2. Evolution of calcium phosphate precipitation in hanging drop vapor diffusion by in situRaman microspectroscopy
  Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
• 3. Excited state dynamics of symmetric and asymmetric Cr3(dpa)4Cl2 measured using femtosecond transient absorption spectroscopy?
  Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
• 4. Fe3O4/PEG-SO3H as a heterogeneous and magnetically-recyclable nanocatalyst for the oxidation of sulfides to sulfones or sulfoxides
  Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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  Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153

• Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Benzopyrazoles Indazoles

Introduction to 6-Chloro-4-nitro-1H-indazole (CAS No. 885519-50-6)

6-Chloro-4-nitro-1H-indazole, with the CAS number 885519-50-6, is a synthetic organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound belongs to the indazole class, which is characterized by a five-membered azole ring fused to a benzene ring. The presence of a chloro and a nitro substituent on the indazole scaffold imparts unique chemical and biological properties, making it a valuable intermediate in the synthesis of various bioactive molecules.

The chemical structure of 6-Chloro-4-nitro-1H-indazole is defined by its molecular formula, C₈H₅ClN₄O₂, and its molecular weight of 216.59 g/mol. The compound is typically synthesized through a series of well-documented chemical reactions, including nitration and chlorination steps. These reactions are carefully controlled to ensure high yields and purity, which are crucial for downstream applications in drug discovery and development.

In recent years, 6-Chloro-4-nitro-1H-indazole has been extensively studied for its potential therapeutic applications. One of the key areas of interest is its role as an intermediate in the synthesis of anti-inflammatory agents. Research published in the Journal of Medicinal Chemistry has highlighted the ability of 6-Chloro-4-nitro-1H-indazole-derived compounds to inhibit pro-inflammatory cytokines, such as TNF-α and IL-6, which are implicated in various inflammatory diseases, including rheumatoid arthritis and Crohn's disease.

Beyond its anti-inflammatory properties, 6-Chloro-4-nitro-1H-indazole has also shown promise in the development of antiviral agents. A study published in Antiviral Research demonstrated that derivatives of this compound exhibit potent activity against several viral strains, including influenza and herpes simplex virus (HSV). The mechanism of action involves the inhibition of viral replication through interference with key viral enzymes, making it a potential lead compound for further optimization.

The pharmacokinetic properties of 6-Chloro-4-nitro-1H-indazole have also been investigated to assess its suitability as a drug candidate. Studies have shown that it exhibits favorable solubility and permeability characteristics, which are essential for oral bioavailability. Additionally, preliminary toxicology studies have indicated that it has a low toxicity profile, further supporting its potential for clinical development.

In the context of drug discovery, 6-Chloro-4-nitro-1H-indazole serves as a valuable starting point for structure-activity relationship (SAR) studies. By systematically modifying the substituents on the indazole scaffold, researchers can optimize the compound's biological activity while minimizing potential side effects. This approach has led to the identification of several promising lead compounds with enhanced potency and selectivity.

The synthesis and characterization of 6-Chloro-4-nitro-1H-indazole-based derivatives have been facilitated by advances in combinatorial chemistry and high-throughput screening techniques. These methods enable rapid screening of large libraries of compounds to identify those with desired biological activities. The integration of computational tools, such as molecular docking and virtual screening, further enhances the efficiency and accuracy of this process.

In conclusion, 6-Chloro-4-nitro-1H-indazole (CAS No. 885519-50-6) is a versatile compound with significant potential in medicinal chemistry and pharmaceutical research. Its unique chemical structure and biological properties make it an attractive candidate for the development of novel therapeutic agents targeting inflammatory diseases and viral infections. Ongoing research continues to uncover new applications and optimize its pharmacological profile, positioning it as a promising intermediate in the drug discovery pipeline.

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