Cas no 31542-62-8 (1,3-Dipropylxanthine)

1,3-Dipropylxanthine is a xanthine derivative with notable pharmacological properties, primarily functioning as a non-selective adenosine receptor antagonist. Its structural modification with propyl groups enhances lipophilicity, improving membrane permeability and bioavailability. This compound exhibits competitive inhibition at A? and A? adenosine receptors, making it valuable for research in cardiovascular and neurological studies. Its stability under physiological conditions and predictable pharmacokinetics facilitate experimental reproducibility. Additionally, 1,3-dipropylxanthine serves as a reference standard in adenosine-related assays due to its well-characterized binding affinity. The compound’s synthetic accessibility and purity further support its utility in mechanistic investigations and drug development.
1,3-Dipropylxanthine structure
1,3-Dipropylxanthine structure
Product Name:1,3-Dipropylxanthine
CAS No:31542-62-8
MF:C11H16N4O2
MW:236.270341873169
CID:312133
PubChem ID:169317
Update Time:2025-08-04

1,3-Dipropylxanthine Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dipropyl-1H-purine-2,6(3H,7H)-dione
    • 1,3-Dipropylxanthine
    • 1H-Purine-2,6-dione,3,9-dihydro-1,3-dipropyl-
    • 1,3-di-n-propylxanthine
    • 1,3-dipropyl-3,7-dihydro-1h-purine-2,6-dione
    • 1,3-Dipropyl-3,7-dihydro-purin-2,6-dion
    • 1,3-dipropyl-3,7-dihydro-purine-2,6-dione
    • dipropylxanthine
    • Z02T66W92D
    • AKOS016004647
    • 1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
    • PDSP1_000328
    • FT-0667703
    • 31542-62-8
    • CAS_169317
    • BDBM82032
    • SCHEMBL515771
    • 1,3-dipropyl-7H-purine-2,6-dione
    • PDSP1_000983
    • UNII-Z02T66W92D
    • 26674-51-1
    • PDSP2_000326
    • L000861
    • 1,3-dipropyl-xanthine
    • PDSP2_001217
    • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-
    • CHEMBL157655
    • 1H-PURINE-2,6-DIONE, 3,9-DIHYDRO-1,3-DIPROPYL
    • BDBM50227331
    • PDSP1_001233
    • GTPL427
    • NSC_169317
    • PDSP2_000967
    • XANTHINE, 1,3-DIPROPYL-
    • J-018455
    • 1,3-Dipropyl-3,9-dihydro-purine-2,6-dione
    • Q27076915
    • (+/-)-17-Hydroxy-7,7-dimethyl-19-nor-17?-pregn-5(10)-en-20-yn-3-one
    • MJVIGUCNSRXAFO-UHFFFAOYSA-N
    • DTXSID00185447
    • (+/-)-17-Hydroxy-7,7-dimethyl-19-nor-17alpha-pregn-5(10)-en-20-yn-3-one
    • DB-068477
    • Inchi: 1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13)
    • InChI Key: MJVIGUCNSRXAFO-UHFFFAOYSA-N
    • SMILES: O=C1N(C(C2=C(N=CN2)N1CCC)=O)CCC

Computed Properties

  • Exact Mass: 238.14300
  • Monoisotopic Mass: 236.127
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 321
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 69.3A^2

Experimental Properties

  • Color/Form: No date available
  • Density: 1.236
  • Melting Point: 204-206°C
  • Boiling Point: 459.9°Cat760mmHg
  • Flash Point: 232°C
  • Refractive Index: 1.558
  • PSA: 65.01000
  • LogP: 0.03700
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

1,3-Dipropylxanthine Security Information

1,3-Dipropylxanthine Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1,3-Dipropylxanthine Pricemore >>

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1,3-Dipropylxanthine Production Method

1,3-Dipropylxanthine Related Literature

Additional information on 1,3-Dipropylxanthine

1,3-Dipropylxanthine (CAS No. 31542-62-8): An Overview of Its Properties, Applications, and Recent Research

1,3-Dipropylxanthine (CAS No. 31542-62-8) is a synthetic xanthine derivative that has garnered significant attention in the fields of pharmacology and medicinal chemistry due to its unique properties and potential therapeutic applications. This compound is structurally similar to other xanthines such as caffeine and theophylline, but it exhibits distinct pharmacological effects that make it a valuable candidate for various research and clinical purposes.

The chemical structure of 1,3-Dipropylxanthine consists of a xanthine core with propyl groups attached to the 1 and 3 positions. This specific substitution pattern confers the compound with enhanced lipophilicity and altered binding affinities to adenosine receptors, which are key targets in the modulation of various physiological processes. The adenosine receptor family includes four subtypes (A1, A2A, A2B, and A3), each with distinct roles in the central nervous system (CNS) and peripheral tissues.

1,3-Dipropylxanthine has been extensively studied for its ability to act as a selective antagonist of adenosine A1 receptors. This property makes it particularly useful in investigating the role of A1 receptors in various neurological disorders, including Parkinson's disease, Alzheimer's disease, and epilepsy. Recent research has shown that 1,3-Dipropylxanthine can modulate neurotransmitter release and neuronal excitability, potentially offering neuroprotective benefits.

In addition to its neuroprotective effects, 1,3-Dipropylxanthine has been explored for its potential in treating respiratory conditions. Studies have demonstrated that this compound can improve bronchial smooth muscle relaxation and reduce airway inflammation, making it a promising candidate for the management of asthma and chronic obstructive pulmonary disease (COPD). The mechanism underlying these effects is thought to involve the inhibition of phosphodiesterase enzymes and the subsequent increase in cyclic adenosine monophosphate (cAMP) levels.

The pharmacokinetic properties of 1,3-Dipropylxanthine have also been well-characterized. It exhibits good oral bioavailability and a relatively long half-life, which are advantageous for sustained therapeutic effects. However, like other xanthines, it can interact with certain drugs and may require dose adjustments in patients with hepatic or renal impairment. Therefore, careful monitoring is essential when using 1,3-Dipropylxanthine in clinical settings.

CAS No. 31542-62-8, the unique identifier for 1,3-Dipropylxanthine, is crucial for researchers and clinicians to accurately reference this compound in scientific literature and regulatory documents. The use of standardized chemical identifiers ensures consistency and precision in communication across different scientific disciplines.

In recent years, advancements in computational chemistry and molecular modeling have provided deeper insights into the binding interactions between 1,3-Dipropylxanthine and its target receptors. These studies have helped optimize the design of new derivatives with improved selectivity and potency. For instance, modifications to the propyl groups or the xanthine core have led to compounds with enhanced therapeutic profiles and reduced side effects.

The safety profile of 1,3-Dipropylxanthine has been evaluated through extensive preclinical studies. Animal models have shown that this compound is generally well-tolerated at therapeutic doses, with minimal adverse effects on cardiovascular function or other organ systems. However, as with any new drug candidate, thorough clinical trials are necessary to fully assess its safety and efficacy in human subjects.

CAS No. 31542-62-8-based research continues to expand our understanding of adenosine receptor biology and its implications for human health. Ongoing studies are exploring the potential of 1,3-Dipropylxanthine-like compounds in treating a wide range of conditions beyond neurological disorders and respiratory diseases. For example, preliminary evidence suggests that these compounds may have anti-inflammatory properties that could be beneficial in managing autoimmune disorders such as rheumatoid arthritis.

In conclusion, 1,3-Dipropylxanthine (CAS No. 31542-62-8) represents a promising avenue for drug development due to its unique pharmacological properties and potential therapeutic applications. As research progresses, it is likely that this compound will continue to play a significant role in advancing our knowledge of adenosine receptor function and developing novel treatments for various medical conditions.

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