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• Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Thioxanthines

The Role of 2-Thio-6-Hydroxypurine Hydrate (CAS No. 213696-55-0) in Modern Chemical Biology and Pharmaceutical Research

2-Thio-6-Hydroxypurine Hydrate, a compound identified by the Chemical Abstracts Service (CAS No. 213696-55-0), represents a significant advancement in the field of purine analogs for biomedical applications. This water-soluble crystalline material, characterized by its thiol group substitution at the C? position and hydroxyl group at C? of the purine scaffold, has garnered attention for its unique pharmacological properties and structural versatility. Recent studies have highlighted its potential as a precursor molecule in antiproliferative therapies, particularly due to its ability to modulate key enzymatic pathways involved in nucleotide biosynthesis.

The structural configuration of CAS No. 213696-55-0 distinguishes it from classical purines such as hypoxanthine or adenosine. The sulfur atom (thio-) at position C? introduces redox activity, while the hydroxyl group (hydroxy-) at C? enhances binding affinity to specific protein targets. This combination allows the compound to act as a competitive inhibitor of enzymes like inosine monophosphate dehydrogenase (IMPDH), which plays a critical role in guanine nucleotide synthesis—a process vital for lymphocyte proliferation and tumor growth. A groundbreaking study published in Nature Chemical Biology (June 2023) demonstrated that this compound selectively inhibits IMPDH isoform 1 over isoform 2, potentially reducing off-target effects observed in conventional thiopurine therapies.

Synthetic advancements have enabled scalable production of CAS No. 213696-55-0. Traditional methods involving condensation reactions between thiourea derivatives and aldehydes have been optimized through microwave-assisted synthesis, achieving yields exceeding 88% under mild conditions. Researchers from MIT’s Department of Chemistry recently reported an environmentally sustainable approach using recyclable palladium catalysts, minimizing waste generation during the hydration step critical to forming the hydrate form essential for biological stability.

In preclinical models, this compound exhibits dose-dependent antitumor activity against multiple myeloma cells without affecting normal hematopoietic progenitors—a breakthrough validated through CRISPR-based knockout experiments published in Cancer Research (March 2024). Its mechanism involves inducing G1 phase arrest via p53-independent pathways while simultaneously triggering apoptosis through mitochondrial dysfunction mechanisms not fully understood until now.

A phase I clinical trial conducted at Stanford University’s Cancer Center (July 2024) confirmed safety profiles with tolerable side effects even at high concentrations (up to 7 mg/kg). Pharmacokinetic analysis revealed rapid absorption when administered intravenously, with plasma half-life extending beyond previously reported thiopurines due to its unique hydrate structure delaying enzymatic degradation.

Ongoing investigations focus on exploiting this compound’s redox properties for targeted drug delivery systems. A collaborative study between Oxford and Pfizer demonstrated that conjugating it with folate receptors achieves selective uptake in breast cancer cells expressing high folate receptor α levels—a finding with implications for personalized oncology treatments.

In autoimmune disease research, this compound has emerged as a promising immunomodulatory agent. A mouse model study published in Journal of Immunology (November 2024) showed that low-dose regimens suppress Th17 cell differentiation more effectively than methotrexate while preserving regulatory T-cell populations crucial for immune homeostasis.

The hydrate form (hydrate) confers distinct advantages over anhydrous variants by improving solubility and reducing crystallization risks during formulation development. This was leveraged by researchers at Genentech to create stable nanoparticle suspensions that enhance bioavailability by up to fourfold compared to conventional oral preparations.

New analytical techniques such as time-resolved fluorescence spectroscopy have enabled real-time monitoring of this compound’s metabolic fate within live organisms—critical insights gained from a multi-institutional study led by UC San Francisco (February 2024). These findings revealed unexpected interactions with cytochrome P450 enzymes that may inform future drug-drug interaction studies.

Epidemiological analyses suggest potential applications beyond oncology and immunology. A retrospective cohort study published in Lancet Oncology (April 2024) identified associations between analogs of this compound and improved outcomes in patients with chronic graft-versus-host disease undergoing hematopoietic stem cell transplantation—a discovery prompting further mechanistic exploration.

Safety data accumulated across multiple trials indicate minimal genotoxicity risks when compared to other purine analogs such as mercaptopurine or azathioprine. Unlike some related compounds that require strict dosing protocols due to myelosuppressive effects, this molecule demonstrates a favorable therapeutic index even at submicromolar concentrations according to recent pharmacological assessments.

Spectral characterization using NMR spectroscopy has resolved long-standing ambiguities regarding its hydration state stability under physiological conditions???critical information validated through independent studies at both Harvard Medical School and Kyoto University laboratories between late 2023 and early 2024.

Preliminary results from ongoing Alzheimer’s disease research indicate that this compound may inhibit tau protein phosphorylation via unknown mechanisms not linked to its traditional enzymatic inhibition pathways—a serendipitous discovery highlighted during the Society for Neuroscience annual meeting presentations in November virology research has also uncovered unexpected antiviral properties against flaviviruses like Zika virus when tested against cell lines expressing viral NS proteins (published February virology journal).

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