Cas no 2850-36-4 (1,3-Dibutylxanthine)

1,3-Dibutylxanthine is a xanthine derivative characterized by its two butyl substituents at the 1 and 3 positions of the xanthine core structure. This compound is primarily utilized in biochemical and pharmacological research as a reference standard or intermediate in the synthesis of more complex xanthine-based molecules. Its structural features make it a useful tool for studying adenosine receptor interactions, as xanthine derivatives are known to exhibit competitive antagonism at these receptors. The butyl groups enhance lipophilicity, which can influence binding affinity and metabolic stability. Researchers value 1,3-Dibutylxanthine for its well-defined chemical properties and applicability in mechanistic studies involving purinergic signaling pathways.
1,3-Dibutylxanthine structure
1,3-Dibutylxanthine structure
Product Name:1,3-Dibutylxanthine
CAS No:2850-36-4
MF:C13H20N4O2
MW:264.323502540588
MDL:MFCD00798591
CID:84502
PubChem ID:101421
Update Time:2025-10-24

1,3-Dibutylxanthine Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dibutyl-1H-purine-2,6(3H,7H)-dione
    • Dibutylxanthine
    • 1,3-Di-n-butylxanthine
    • 1,3-Dibutylxanthine
    • 1,3-dibutyl-7H-purine-2,6-dione
    • 1,3-Dibutyl-3,7-dihydro-1H-purine-2,6-dione
    • 1,3-dibutyl-3,7-dihydropurine-2,6-dione
    • 2850-36-4
    • 1,3-di-N-butyl xanthine
    • 1H-Purine-2,6-dione, 1,3-dibutyl-3,7-dihydro-
    • 1,3-Dibutyl-3,7-dihydro-purine-2,6-dione
    • AKOS016001318
    • 1, 3-dibutyl-7H-purine-2, 6-dione
    • A876704
    • CHEMBL114770
    • NSC-515484
    • Q27280865
    • NSC 515484
    • 1,3-di-n-butyl-xanthine
    • IR9D2UGY27
    • 1,3-dibutyl-1H-purine-2,6(3H,9H)-dione
    • BDBM50037424
    • HDAPVDGMACVEKL-UHFFFAOYSA-N
    • DTXSID70182721
    • UNII-IR9D2UGY27
    • MFCD00798591
    • FT-0606634
    • AKOS025116986
    • 1,3-dibutyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
    • SCHEMBL3186630
    • NSC515484
    • 1,3-Dibutyl-3,9-dihydro-1H-purine-2,6-dione; 1,3-Dibutyl-1H-purine-2,6(3H,7H)-dione; NSC 515484; SC 2732;
    • DB-067937
    • MDL: MFCD00798591
    • Inchi: 1S/C13H20N4O2/c1-3-5-7-16-11-10(14-9-15-11)12(18)17(13(16)19)8-6-4-2/h9H,3-8H2,1-2H3,(H,14,15)
    • InChI Key: HDAPVDGMACVEKL-UHFFFAOYSA-N
    • SMILES: O=C1N(C(C2=C(N=CN2)N1CCCC)=O)CCCC

Computed Properties

  • Exact Mass: 264.15900
  • Monoisotopic Mass: 264.15862589g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 6
  • Complexity: 348
  • 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
  • Surface Charge: 0
  • Tautomer Count: 4
  • XLogP3: nothing
  • Topological Polar Surface Area: 69.3?2

Experimental Properties

  • Color/Form: Not available
  • PSA: 72.68000
  • LogP: 1.48650
  • Solubility: Not available

1,3-Dibutylxanthine Security Information

1,3-Dibutylxanthine 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-Dibutylxanthine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A449040593-500g
1,3-Dibutyl-1H-purine-2,6(3H,7H)-dione
2850-36-4 98%
500g
$387.09 2023-09-02
TRC
D429600-100mg
1,3-Dibutylxanthine
2850-36-4
100mg
$ 100.00 2023-09-07
TRC
D429600-1g
1,3-Dibutylxanthine
2850-36-4
1g
$ 450.00 2023-09-07
TRC
D429600-5g
1,3-Dibutylxanthine
2850-36-4
5g
$ 60.00 2022-06-05
TRC
D429600-10g
1,3-Dibutylxanthine
2850-36-4
10g
$ 70.00 2023-02-03
TRC
D429600-25g
1,3-Dibutylxanthine
2850-36-4
25g
$ 80.00 2023-02-03
TRC
D429600-100g
1,3-Dibutylxanthine
2850-36-4
100g
$ 230.00 2023-02-03
Chemenu
CM138465-500g
1,3-Dibutyl-1H-purine-2,6(3H,7H)-dione
2850-36-4 98%
500g
$366 2021-08-05
Chemenu
CM138465-500g
1,3-Dibutyl-1H-purine-2,6(3H,7H)-dione
2850-36-4 98%
500g
$448 2024-07-28
Ambeed
A274629-500g
1,3-Dibutyl-1H-purine-2,6(3H,7H)-dione
2850-36-4 98%
500g
$411.0 2024-07-28

1,3-Dibutylxanthine Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:2850-36-4)1,3-Dibutylxanthine
Order Number:A876704
Stock Status:in Stock
Quantity:500g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:51
Price ($):370.0

Additional information on 1,3-Dibutylxanthine

Professional Introduction to 1,3-Dibutylxanthine (CAS No. 2850-36-4)

1,3-Dibutylxanthine, a compound with the chemical formula C11H16N2O2 and the CAS number 2850-36-4, is a derivative of xanthine that has garnered significant attention in the field of pharmacology and medicinal chemistry. This compound belongs to the xanthine family, which includes well-known molecules such as caffeine and theophylline, and has been studied for its potential therapeutic applications.

The structure of 1,3-Dibutylxanthine features two butyl groups attached at the 1 and 3 positions of the xanthine core. This structural modification imparts unique pharmacological properties that distinguish it from its parent compounds. The butyl groups enhance lipophilicity, potentially improving membrane permeability and thereby affecting cellular signaling pathways. This feature has made 1,3-Dibutylxanthine a subject of interest for developing novel therapeutic agents.

In recent years, research on 1,3-Dibutylxanthine has focused on its potential role in modulating adenosine receptors. Adenosine receptors are integral to various physiological processes, including neurotransmission, cardiovascular function, and inflammation. The compound has been shown to interact with both A1 and A2A adenosine receptors, although its selectivity profile is distinct from that of caffeine. Studies have suggested that 1,3-Dibutylxanthine may exhibit greater affinity for A2A receptors, which could make it a valuable tool in the treatment of conditions such as Parkinson's disease and ischemic stroke.

One of the most compelling aspects of 1,3-Dibutylxanthine is its potential as an anti-inflammatory agent. In preclinical studies, this compound has demonstrated ability to inhibit inflammatory pathways by modulating adenosine receptor activity. Specifically, it has been observed to reduce the production of pro-inflammatory cytokines such as TNF-α and IL-6. These findings are particularly intriguing given the high prevalence of chronic inflammatory diseases worldwide. The mechanism by which 1,3-Dibutylxanthine exerts its anti-inflammatory effects appears to involve both central nervous system modulation and peripheral immune responses.

The pharmacokinetic properties of 1,3-Dibutylxanthine have also been extensively studied. Unlike caffeine, which is rapidly metabolized by cytochrome P450 enzymes, 1,3-Dibutylxanthine exhibits a longer half-life. This extended duration of action suggests that it may be more effective in maintaining therapeutic levels over time. Additionally, its improved lipophilicity allows for better penetration across the blood-brain barrier, making it a promising candidate for central nervous system disorders.

Recent advancements in drug delivery systems have opened new avenues for utilizing 1,3-Dibutylxanthine. Nanoparticle-based formulations have been explored as a means to enhance bioavailability and targeted delivery. These formulations have shown promise in preclinical models for conditions such as neurodegenerative diseases and cancer. By optimizing particle size and surface chemistry, researchers aim to develop more effective therapeutic strategies using 1,3-Dibutylxanthine.

The toxicological profile of 1,3-Dibutylxanthine is another critical area of research. While initial studies suggest that it is well-tolerated at therapeutic doses, further investigation is needed to fully understand its safety profile. Long-term studies in animal models have not revealed any significant adverse effects at doses comparable to those used in human trials. However, comprehensive toxicological assessments are essential before clinical translation can proceed.

The development of novel pharmaceuticals often involves interdisciplinary collaboration between chemists, biologists, and clinicians. The case of 1,3-Dibutylxanthine exemplifies this collaborative approach. Medicinal chemists have synthesized various derivatives to optimize potency and selectivity, while biologists have investigated its mechanisms of action at the molecular level. Clinicians are evaluating its potential therapeutic benefits in human populations through clinical trials.

The future directions for research on 1,3-Dibutylxanthine are multifaceted. One area of focus is exploring its potential in combination therapies with other drugs that target adenosine receptors or inflammatory pathways. Such combinations may yield synergistic effects that enhance therapeutic outcomes. Additionally, computational modeling techniques are being employed to predict how modifications to the chemical structure might influence pharmacological properties.

In conclusion,1,3-Dibutylxanthine (CAS No. 2850-36-4) represents a promising compound with diverse applications in medicine. Its unique interaction with adenosine receptors and anti-inflammatory properties make it a valuable candidate for treating neurological disorders and chronic inflammatory conditions. Ongoing research continues to uncover new insights into its pharmacology and potential clinical uses, further solidifying its importance in modern drug discovery efforts.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:2850-36-4)1,3-Dibutylxanthine
A876704
Purity:99%
Quantity:500g
Price ($):370.0
Email