1,3,7-trimethyl-8-(phenylmethyl)purine-2,6-dione, also known as **caffeine**, is a naturally occurring psychoactive alkaloid.
Here's why it's important in research:
**1. Pharmacology and Neurochemistry:**
* **Adenosine Receptor Antagonism:** Caffeine's primary mechanism of action is its antagonism of adenosine receptors in the brain. Adenosine is a neuromodulator that promotes sleepiness and inhibits neuronal activity. Caffeine blocks adenosine from binding to its receptors, leading to increased neuronal activity and alertness.
* **Central Nervous System Stimulant:** This antagonism of adenosine receptors explains caffeine's stimulant effects, including increased alertness, focus, and reduced fatigue.
* **Metabolic Effects:** Caffeine can increase metabolism, leading to an increased metabolic rate and potentially aiding in weight management (though this effect is debated).
* **Cardiovascular Effects:** Caffeine can increase heart rate and blood pressure, which is a concern for individuals with cardiovascular problems.
**2. Clinical Applications:**
* **Treatment of Migraines:** Caffeine is often included in migraine medications as it can help to constrict blood vessels and reduce inflammation.
* **Cognitive Enhancement:** Caffeine is widely consumed for its ability to improve alertness, focus, and cognitive performance. Research suggests it may enhance short-term memory, attention, and reaction time.
* **Treatment of Asthma:** Caffeine has been shown to relax airway smooth muscles, which may help to alleviate asthma symptoms.
**3. Research into Caffeine's Mechanisms:**
* **Neuroprotective Effects:** Caffeine has been linked to potential neuroprotective effects, potentially reducing the risk of neurodegenerative diseases such as Parkinson's and Alzheimer's.
* **Cancer Research:** Some studies suggest caffeine may have anticancer properties, though more research is needed.
* **Addiction and Withdrawal:** Caffeine is a widely used and potentially addictive substance. Research investigates its effects on addiction and withdrawal symptoms.
**4. Model for Understanding Adenosine System:**
* **Adenosine Receptor Study:** Caffeine is a valuable tool for studying the role of adenosine receptors in the brain and body. Understanding its effects can provide insights into various physiological processes.
Overall, caffeine is an important research subject due to its widespread use, physiological effects, and potential therapeutic applications. Understanding its mechanisms of action can lead to new treatments for various conditions and further insights into the human brain and body.
ID Source | ID |
---|---|
PubMed CID | 21551 |
CHEMBL ID | 483661 |
CHEBI ID | 121806 |
SCHEMBL ID | 3099603 |
Synonym |
---|
8-benzyl-caffeine |
caffeine, 8-benzyl- |
brn 0298246 |
nsc 14396 |
1h-purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(phenylmethyl)- |
nsc14396 |
5426-88-0 |
mls000737468 , |
1h-purine-2, 3,7-dihydro-1,3,7-trimethyl-8-(phenylmethyl)- |
nsc-14396 |
OPREA1_300507 |
1h-purine-2,6-dione, 3,7-dihydro-1,3, 7-trimethyl-8- (phenylmethyl)- |
smr000528153 |
CHEBI:121806 |
CHEMBL483661 |
NCGC00246743-01 |
unii-h0o8qgm8zc |
8-benzylcaffeine |
h0o8qgm8zc , |
4-26-00-02535 (beilstein handbook reference) |
HMS2856D22 |
SCHEMBL3099603 |
Q27210378 |
DTXSID50202618 |
1,3,7-trimethyl-8-(phenylmethyl)purine-2,6-dione |
3,7-dihydro-1,3,7-trimethyl-8-(phenylmethyl)-1h-purine-2,6-dione |
Class | Description |
---|---|
oxopurine | |
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] |
Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 100.0000 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
histone acetyltransferase KAT2A isoform 1 | Homo sapiens (human) | Potency | 0.7943 | 0.2512 | 15.8432 | 39.8107 | AID504327 |
relaxin receptor 1 isoform 1 | Homo sapiens (human) | Potency | 28.1838 | 0.0388 | 14.3501 | 43.6206 | AID2676 |
Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) | Potency | 100.0000 | 6.3096 | 60.2008 | 112.2020 | AID720709 |
Guanine nucleotide-binding protein G | Homo sapiens (human) | Potency | 5.0119 | 1.9953 | 25.5327 | 50.1187 | AID624287 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Process | via Protein(s) | Taxonomy |
---|---|---|
guanyl-nucleotide exchange factor activity | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
protein binding | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
protein domain specific binding | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
cAMP binding | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
G protein activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
adenylate cyclase activator activity | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Process | via Protein(s) | Taxonomy |
---|---|---|
plasma membrane | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
cortical actin cytoskeleton | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
plasma membrane | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
microvillus | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
endomembrane system | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
membrane | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
lamellipodium | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
filopodium | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
extracellular exosome | Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) |
plasma membrane | Guanine nucleotide-binding protein G | Homo sapiens (human) |
[Information is prepared from geneontology information from the June-17-2024 release] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID504810 | Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID504812 | Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
AID387201 | Inhibition of baboon liver mitochondrial monoamine oxidase B at 1000 uM by spectrophotometry | 2008 | Bioorganic & medicinal chemistry, Sep-15, Volume: 16, Issue:18 | Dual inhibition of monoamine oxidase B and antagonism of the adenosine A(2A) receptor by (E,E)-8-(4-phenylbutadien-1-yl)caffeine analogues. |
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] |
Timeframe | Studies, This Drug (%) | All Drugs % |
---|---|---|
pre-1990 | 0 (0.00) | 18.7374 |
1990's | 0 (0.00) | 18.2507 |
2000's | 2 (33.33) | 29.6817 |
2010's | 3 (50.00) | 24.3611 |
2020's | 1 (16.67) | 2.80 |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.
| This Compound (12.41) All Compounds (24.57) |
Publication Type | This drug (%) | All Drugs (%) |
---|---|---|
Trials | 0 (0.00%) | 5.53% |
Reviews | 0 (0.00%) | 6.00% |
Case Studies | 0 (0.00%) | 4.05% |
Observational | 0 (0.00%) | 0.25% |
Other | 6 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |