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5415-44-1,MFCD00042773
Catalog No.:AA00377Q

5415-44-1 | 1,3,7-Trimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione

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25mg
≥98%
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$89.00   $62.00
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50mg
≥98%
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$165.00   $115.00
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100mg
≥98%
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$309.00   $216.00
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250mg
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00377Q
Chemical Name:
1,3,7-Trimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
CAS Number:
5415-44-1
Molecular Formula:
C8H10N4O3
Molecular Weight:
210.1900
MDL Number:
MFCD00042773
SMILES:
Cn1c(=O)[nH]c2c1c(=O)n(c(=O)n2C)C
Properties
Properties
 
Form:
Solid  
MP:
>169°C (dec.)  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
414  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
XLogP3:
-0.4  

Literature

Title: Delineation of the caffeine C-8 oxidation pathway in Pseudomonas sp. strain CBB1 via characterization of a new trimethyluric acid monooxygenase and genes involved in trimethyluric acid metabolism.

Journal: Journal of bacteriology 20120801

Title: Application of mild therapeutic hypothermia on stroke: a systematic review and meta-analysis.

Journal: Stroke research and treatment 20120101

Title: Genome-wide meta-analysis identifies regions on 7p21 (AHR) and 15q24 (CYP1A2) as determinants of habitual caffeine consumption.

Journal: PLoS genetics 20110401

Title: Therapeutic hypothermia in stroke and traumatic brain injury.

Journal: Frontiers in neurology 20110101

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Nitrosation of N-methyl derivatives of uric acid and their transnitrosation ability to N-acetylcysteine.

Journal: Chemical & pharmaceutical bulletin 20100901

Title: Winning a won game: caffeine panacea for obesity syndemic.

Journal: Current neuropharmacology 20100601

Title: Caffeinol at the receptor level: anti-ischemic effect of N-methyl-D-aspartate receptor blockade is potentiated by caffeine.

Journal: Stroke 20100201

Title: Inhibition of CTP synthase from Escherichia coli by xanthines and uric acids.

Journal: Bioorganic & medicinal chemistry letters 20100101

Title: Hydration and self-association of caffeine molecules in aqueous solution: comparative effects of sucrose and beta-cyclodextrin.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20090701

Title: Combined neuroprotective modalities coupled with thrombolysis in acute ischemic stroke: a pilot study of caffeinol and mild hypothermia.

Journal: Journal of stroke and cerebrovascular diseases : the official journal of National Stroke Association 20090101

Title: Paradoxical effects of adenosine receptor ligands on hydroxyl radical generation by L-DOPA in the rat striatum.

Journal: Pharmacological reports : PR 20080101

Title: Inhibitory effects of caffeine and its metabolites on intracellular lipid accumulation in murine 3T3-L1 adipocytes.

Journal: BioFactors (Oxford, England) 20080101

Title: Effects of acute caffeine withdrawal on Short Category Test performance in sleep-deprived individuals.

Journal: Perceptual and motor skills 20071201

Title: Life after SAINT.

Journal: International journal of stroke : official journal of the International Stroke Society 20071101

Title: Experimental treatments for acute ischaemic stroke.

Journal: Lancet (London, England) 20070127

Title: Co-crystals of caffeine and hydroxy-2-naphthoic acids: unusual formation of the carboxylic acid dimer in the presence of a heterosynthon.

Journal: Molecular pharmaceutics 20070101

Title: Soluble neuroprotective antioxidant uric acid analogs ameliorate ischemic brain injury in mice.

Journal: Neuromolecular medicine 20070101

Title: Solid-phase synthesis and antibacterial activity of hydroxycinnamic acid amides and analogues against methicillin-resistant Staphylococcus aureus and vancomycin-resistant S. aureus.

Journal: Bioorganic & medicinal chemistry letters 20061115

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Combining insulin-like growth factor derivatives plus caffeinol produces robust neuroprotection after stroke in rats.

Journal: Stroke 20050101

Title: Molecular recognition and crystal energy landscapes: an X-ray and computational study of caffeine and other methylxanthines.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20041217

Title: Post-trauma administration of caffeine plus ethanol reduces contusion volume and improves working memory in rats.

Journal: Journal of neurotrauma 20041101

Title: Separation, pre-concentration, and HPLC analysis of methylxanthines in urine samples.

Journal: Journal of separation science 20041001

Title: Lost in translation: taking neuroprotection from animal models to clinical trials.

Journal: Experimental neurology 20040801

Title: Pharmacology of caffeinol in embolized rabbits: clinical rating scores and intracerebral hemorrhage incidence.

Journal: Experimental neurology 20040801

Title: Caffeinol confers cortical but not subcortical neuroprotection after transient focal cerebral ischemia in rats.

Journal: Brain research 20040522

Title: Coffee and alcohol combination may protect stroke patients.

Journal: Heart advisor 20030601

Title: Ethanol plus caffeine (caffeinol) for treatment of ischemic stroke: preclinical experience.

Journal: Stroke 20030501

Title: Differences in caffeine and paraxanthine metabolism between human and murine CYP1A2.

Journal: Biochemical pharmacology 20020615

Title: Efficient scavenging of hydroxyl radicals and inhibition of lipid peroxidation by novel analogues of 1,3,7-trimethyluric acid.

Journal: Life sciences 20011214

Title: Caffeine antagonism of alcohol-induced driving impairment.

Journal: Drug and alcohol dependence 20010701

Title: Effects of phenothiazine neuroleptics on the rate of caffeine demethylation and hydroxylation in the rat liver.

Journal: Polish journal of pharmacology 20010101

Title: Purification and partial characterization of caffeine oxidase--A novel enzyme from a mixed culture consortium.

Journal: Biochemical and biophysical research communications 19990924

Title: A novel pathway for the metabolism of caffeine by a mixed culture consortium.

Journal: Biochemical and biophysical research communications 19980810

Title: Caffeine, estradiol, and progesterone interact with human CYP1A1 and CYP1A2. Evidence from cDNA-directed expression in Saccharomyces cerevisiae.

Journal: Drug metabolism and disposition: the biological fate of chemicals 19930101

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Tags:5415-44-1 Molecular Formula|5415-44-1 MDL|5415-44-1 SMILES|5415-44-1 1,3,7-Trimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione