Cas no 1068976-90-8 (5-Pyrimidinecarboxylic acid, 2-(2-pyridinyl)-, methyl ester)

5-Pyrimidinecarboxylic acid, 2-(2-pyridinyl)-, methyl ester is a heterocyclic compound featuring both pyrimidine and pyridine moieties, which are of significant interest in pharmaceutical and agrochemical research. The methyl ester group enhances its reactivity, making it a versatile intermediate for further synthetic modifications. Its structural framework is particularly valuable in the development of bioactive molecules, including potential enzyme inhibitors and ligands for metal coordination. The compound's stability and solubility in common organic solvents facilitate its use in various chemical reactions. Its dual heterocyclic nature offers opportunities for applications in medicinal chemistry and material science, where tailored functionalization is often required.
5-Pyrimidinecarboxylic acid, 2-(2-pyridinyl)-, methyl ester structure
1068976-90-8 structure
Product Name:5-Pyrimidinecarboxylic acid, 2-(2-pyridinyl)-, methyl ester
CAS No:1068976-90-8
MF:C11H9N3O2
MW:215.208061933517
CID:2116459
Update Time:2025-05-21

5-Pyrimidinecarboxylic acid, 2-(2-pyridinyl)-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • methyl 2-(pyridin-2-yl)pyrimidine-5-carboxylate
    • 5-Pyrimidinecarboxylic acid, 2-(2-pyridinyl)-, methyl ester
    • Inchi: 1S/C11H9N3O2/c1-16-11(15)8-6-13-10(14-7-8)9-4-2-3-5-12-9/h2-7H,1H3
    • InChI Key: WPTQPYRXSBRXIX-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=NC(C2C=CC=CN=2)=NC=1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 239
  • Topological Polar Surface Area: 65

5-Pyrimidinecarboxylic acid, 2-(2-pyridinyl)-, methyl ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB573168-1g
2-Pyridin-2-yl-pyrimidine-5-carboxylic acid methyl ester, 95%; .
1068976-90-8 95%
1g
€1050.10 2025-04-22

Additional information on 5-Pyrimidinecarboxylic acid, 2-(2-pyridinyl)-, methyl ester

Introduction to 5-Pyrimidinecarboxylic acid, 2-(2-pyridinyl)-, methyl ester (CAS No. 1068976-90-8)

5-Pyrimidinecarboxylic acid, 2-(2-pyridinyl)-, methyl ester, identified by the CAS number 1068976-90-8, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the pyrimidine derivatives class, which is well-documented for its diverse biological activities and potential therapeutic applications. The structural features of this molecule, particularly the presence of a pyridinyl group and a methyl ester moiety, contribute to its unique chemical properties and reactivity, making it a valuable scaffold for drug discovery and development.

The methyl ester functionality in the molecule enhances its solubility and bioavailability, which are critical factors in pharmaceutical formulations. This characteristic makes it an attractive candidate for further investigation in the design of novel therapeutic agents. Additionally, the pyrimidine core is a well-known pharmacophore in many drugs used to treat various diseases, including cancer, infectious diseases, and metabolic disorders.

Recent advancements in chemical biology have highlighted the importance of pyrimidine derivatives in modulating biological pathways. Studies have demonstrated that compounds with similar structural motifs can interact with key enzymes and receptors involved in disease mechanisms. For instance, modifications of the pyrimidine ring have been shown to influence kinase activity, DNA replication, and transcriptional regulation. These findings underscore the potential of 5-Pyrimidinecarboxylic acid, 2-(2-pyridinyl)-, methyl ester as a lead compound for developing targeted therapies.

In the realm of drug discovery, the synthesis and characterization of this compound have been optimized to ensure high purity and yield. Advanced synthetic methodologies have been employed to introduce functional groups with precision, enabling researchers to explore structural analogs with enhanced pharmacological properties. The use of computational chemistry tools has further facilitated the understanding of molecular interactions, providing insights into how modifications can improve drug efficacy and reduce side effects.

One of the most compelling aspects of 5-Pyrimidinecarboxylic acid, 2-(2-pyridinyl)-, methyl ester is its versatility as a building block for more complex molecules. Researchers have leveraged its scaffold to create derivatives with improved binding affinity and selectivity. For example, studies have shown that incorporating additional substituents into the pyridinyl ring can enhance interactions with biological targets while minimizing off-target effects. This approach aligns with the growing trend toward structure-based drug design, where computational modeling plays a pivotal role in guiding synthetic efforts.

The pharmacological profile of this compound has been evaluated through in vitro and in vivo studies. Preliminary results indicate that it exhibits promising activity against certain pathological conditions. These findings are particularly intriguing given the increasing demand for innovative treatments that address unmet medical needs. The compound’s ability to modulate key biological pathways suggests its potential as an antineoplastic agent or an immunomodulator.

Furthermore, the chemical stability of 5-Pyrimidinecarboxylic acid, 2-(2-pyridinyl)-, methyl ester under various conditions has been thoroughly investigated. This is essential for ensuring its suitability for industrial-scale production and formulation into pharmaceutical products. Stability studies have revealed that the compound maintains its integrity under controlled storage conditions but may degrade when exposed to extreme temperatures or moisture. These insights are crucial for developing robust manufacturing processes that preserve product quality.

The regulatory landscape for novel pharmaceutical compounds requires rigorous testing to demonstrate safety and efficacy before clinical translation. Researchers are actively engaged in generating comprehensive data sets that meet these stringent requirements. Preclinical studies are being conducted to assess toxicological profiles and pharmacokinetic parameters, providing a foundation for future clinical trials.

The integration of artificial intelligence (AI) into drug discovery has accelerated the pace at which new compounds like 5-Pyrimidinecarboxylic acid, 2-(2-pyridinyl)-, methyl ester are being developed. AI-driven platforms enable high-throughput screening and molecular docking simulations, which help identify promising candidates more efficiently than traditional methods. This synergy between computational chemistry and experimental biology has opened new avenues for innovation in medicinal chemistry.

Collaborative efforts between academic institutions and pharmaceutical companies are fostering interdisciplinary research aimed at unlocking the therapeutic potential of this compound. Such partnerships bring together expertise from chemistry, biology, pharmacology, and computer science to tackle complex challenges in drug development. The collective knowledge generated through these collaborations is expected to yield breakthroughs that benefit patients worldwide.

The future directions for research on 5-Pyrimidinecarboxylic acid, 2-(2-pyridinyl)-, methyl ester include exploring its role in combination therapies and investigating mechanisms of action at a molecular level. By understanding how this compound interacts with biological targets at a detailed level—down to atomic resolution—scientists can refine its design to maximize therapeutic benefits while minimizing adverse effects.

In conclusion,5-Pyrimidinecarboxylic acid, methyl ester, CAS No. 1068976-90-8, represents a significant advancement in pharmaceutical chemistry due to its structural complexity, bioactivity,and synthetic versatility. Its potential as a lead compound underscores why pyrimidine derivatives continue to be a cornerstone of modern drug discovery efforts aimed at addressing critical health challenges across multiple therapeutic domains.

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