Cas no 578697-67-3 (7-(3-hydroxypropyl)-1,3-dimethyl-8-(piperidin-1-yl)methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione)

7-(3-Hydroxypropyl)-1,3-dimethyl-8-(piperidin-1-yl)methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is a purine derivative with a structurally optimized framework, incorporating both hydroxypropyl and piperidinylmethyl substituents. This compound exhibits potential as an intermediate in pharmaceutical synthesis, particularly for targeting adenosine receptor modulation due to its purine core. The presence of the 3-hydroxypropyl group enhances solubility, while the piperidin-1-ylmethyl moiety may improve binding affinity to biological targets. Its dimethyl substitution at the 1 and 3 positions contributes to metabolic stability. The compound’s well-defined heterocyclic structure makes it suitable for further derivatization in medicinal chemistry research, offering a balance of reactivity and selectivity for exploratory studies.
7-(3-hydroxypropyl)-1,3-dimethyl-8-(piperidin-1-yl)methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione structure
578697-67-3 structure
Product Name:7-(3-hydroxypropyl)-1,3-dimethyl-8-(piperidin-1-yl)methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS No:578697-67-3
MF:C16H26N5O3
MW:336.409343242645
CID:6283024
PubChem ID:74680356
Update Time:2025-06-11

7-(3-hydroxypropyl)-1,3-dimethyl-8-(piperidin-1-yl)methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione Chemical and Physical Properties

Names and Identifiers

    • 7-(3-hydroxypropyl)-1,3-dimethyl-8-(piperidin-1-yl)methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
    • 578697-67-3
    • Inchi: 1S/C16H26N5O3/c1-18-14-13(15(23)19(2)16(18)24)21(9-6-10-22)12(17-14)11-20-7-4-3-5-8-20/h13,22H,3-11H2,1-2H3/q+1
    • InChI Key: DTTDNWRMKOJTJF-UHFFFAOYSA-N
    • SMILES: O=C1C2C(N(C)C(N1C)=O)=NC(CN1CCCCC1)=[N+]2CCCO

Computed Properties

  • Exact Mass: 336.20356471g/mol
  • Monoisotopic Mass: 336.20356471g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 5
  • Complexity: 595
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.5
  • Topological Polar Surface Area: 79.5?2

7-(3-hydroxypropyl)-1,3-dimethyl-8-(piperidin-1-yl)methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione Pricemore >>

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Additional information on 7-(3-hydroxypropyl)-1,3-dimethyl-8-(piperidin-1-yl)methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

Recent Advances in the Study of 7-(3-hydroxypropyl)-1,3-dimethyl-8-(piperidin-1-yl)methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS: 578697-67-3)

The compound 7-(3-hydroxypropyl)-1,3-dimethyl-8-(piperidin-1-yl)methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS: 578697-67-3) has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This purine derivative, characterized by its unique structural features, has shown promising potential in various therapeutic applications. Recent studies have focused on elucidating its pharmacological properties, mechanism of action, and potential clinical applications, making it a compound of considerable interest to researchers and industry professionals alike.

One of the key areas of investigation has been the compound's interaction with adenosine receptors, particularly the A2A and A2B subtypes. Preliminary in vitro and in vivo studies suggest that 578697-67-3 exhibits high affinity and selectivity for these receptors, which are implicated in a range of physiological processes, including inflammation, immune response, and cardiovascular function. The compound's ability to modulate these receptors has sparked interest in its potential as a therapeutic agent for conditions such as Parkinson's disease, chronic inflammation, and certain types of cancer.

Recent advancements in synthetic chemistry have also facilitated the development of more efficient and scalable routes for the production of 578697-67-3. Researchers have reported improved yields and purity through optimized reaction conditions and novel catalytic systems. These developments are critical for ensuring the compound's availability for further preclinical and clinical studies, as well as for potential large-scale manufacturing.

In addition to its receptor-binding properties, 578697-67-3 has been investigated for its pharmacokinetic and pharmacodynamic profiles. Studies have demonstrated favorable absorption, distribution, metabolism, and excretion (ADME) characteristics, along with a satisfactory safety profile in animal models. These findings underscore the compound's potential as a viable candidate for further drug development.

Looking ahead, ongoing research aims to explore the compound's efficacy in more complex disease models and to identify potential synergies with existing therapies. Collaborative efforts between academic institutions and pharmaceutical companies are expected to accelerate the translation of these findings into clinical applications. As the body of evidence grows, 578697-67-3 is poised to become a significant player in the next generation of therapeutic agents targeting adenosine receptor-mediated pathways.

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