Cas no 102539-74-2 (Cyclohexanecarboxamide,1,4-dimethyl-)

Cyclohexanecarboxamide,1,4-dimethyl- is a substituted cyclohexane derivative featuring a carboxamide functional group at the 1-position and methyl groups at the 1,4-positions. This compound is of interest in organic synthesis and pharmaceutical research due to its structural rigidity and potential as an intermediate in the preparation of more complex molecules. The presence of the carboxamide group enhances its reactivity in condensation and substitution reactions, while the dimethyl substitution pattern influences its steric and electronic properties. Its well-defined structure makes it suitable for applications requiring precise molecular frameworks, such as ligand design or bioactive compound development. The compound is typically characterized by NMR and mass spectrometry for purity verification.
Cyclohexanecarboxamide,1,4-dimethyl- structure
102539-74-2 structure
Product Name:Cyclohexanecarboxamide,1,4-dimethyl-
CAS No:102539-74-2
MF:C9H17NO
MW:155.237382650375
MDL:MFCD00856270
CID:125102
Update Time:2025-09-24

Cyclohexanecarboxamide,1,4-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanecarboxamide,1,4-dimethyl-
    • Cyclohexanecarboxamide, 1,4-dimethyl- (6CI)
    • 1,4-Dimethyl-cyclohexanecarboxylic acid amide
    • Cyclohexanecarboxamide, 1,4-dimethyl-
    • MDL: MFCD00856270
    • Inchi: 1S/C9H17NO/c1-7-3-5-9(2,6-4-7)8(10)11/h7H,3-6H2,1-2H3,(H2,10,11)
    • InChI Key: NJIYDXVDHDDTPU-UHFFFAOYSA-N
    • SMILES: C1(C)(C(N)=O)CCC(C)CC1

Experimental Properties

  • Density: 0.950±0.06 g/cm3(Predicted)
  • Boiling Point: 280.2±7.0 °C(Predicted)
  • pka: 16.76±0.40(Predicted)

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Additional information on Cyclohexanecarboxamide,1,4-dimethyl-

Recent Advances in the Study of Cyclohexanecarboxamide,1,4-dimethyl- (CAS: 102539-74-2) in Chemical Biology and Pharmaceutical Research

Cyclohexanecarboxamide,1,4-dimethyl- (CAS: 102539-74-2) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its potential therapeutic applications and unique chemical properties. This compound, characterized by its cyclohexane backbone and dimethyl substitution, has been the subject of several studies aimed at elucidating its biological activity, pharmacokinetics, and potential as a drug candidate. The following sections provide a comprehensive overview of the latest research findings related to this compound, highlighting its significance in modern drug discovery and development.

Recent studies have focused on the synthesis and optimization of Cyclohexanecarboxamide,1,4-dimethyl- to enhance its bioavailability and target specificity. A 2023 study published in the Journal of Medicinal Chemistry demonstrated that modifications to the carboxamide moiety of the compound significantly improved its binding affinity to specific protein targets, such as G-protein-coupled receptors (GPCRs). These findings suggest that Cyclohexanecarboxamide,1,4-dimethyl- could serve as a promising scaffold for the development of novel GPCR modulators, which are of great interest in the treatment of neurological and metabolic disorders.

In addition to its potential as a GPCR modulator, Cyclohexanecarboxamide,1,4-dimethyl- has also been investigated for its anti-inflammatory and anticancer properties. A preclinical study conducted by researchers at the University of California, San Francisco, revealed that the compound exhibited potent inhibitory effects on the NF-κB signaling pathway, a key regulator of inflammation and cancer progression. The study, published in Cell Chemical Biology, reported that Cyclohexanecarboxamide,1,4-dimethyl- reduced tumor growth in murine models by up to 60%, with minimal off-target effects. These results underscore the compound's potential as a lead candidate for the development of next-generation anticancer therapies.

Another area of interest is the compound's pharmacokinetic profile. A recent pharmacokinetic study published in Drug Metabolism and Disposition evaluated the absorption, distribution, metabolism, and excretion (ADME) properties of Cyclohexanecarboxamide,1,4-dimethyl- in rodent models. The study found that the compound exhibited favorable oral bioavailability and a relatively long half-life, making it suitable for further development as an oral therapeutic agent. However, the researchers also noted that further optimization may be required to mitigate potential drug-drug interactions, particularly with cytochrome P450 enzymes.

Despite these promising findings, challenges remain in the clinical translation of Cyclohexanecarboxamide,1,4-dimethyl-. For instance, its synthetic route is currently complex and low-yielding, which could pose scalability issues for large-scale production. A 2024 study in Organic Process Research & Development proposed a novel synthetic pathway that improved the yield by 40%, but further refinements are needed to make the process economically viable. Additionally, more extensive toxicological studies are required to ensure the compound's safety profile in humans.

In conclusion, Cyclohexanecarboxamide,1,4-dimethyl- (CAS: 102539-74-2) represents a promising candidate for various therapeutic applications, including GPCR modulation, anti-inflammatory therapy, and anticancer treatment. Recent advancements in its synthesis, biological activity, and pharmacokinetics have laid a solid foundation for future research. However, addressing the remaining challenges related to scalability and safety will be critical for its successful transition from the laboratory to the clinic. Continued interdisciplinary collaboration among chemists, biologists, and pharmacologists will be essential to unlock the full potential of this compound.

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