Home Other Building Blocks 80288-49-9
80288-49-9,MFCD00153799
Catalog No.:AA0053Z4

80288-49-9 | 3-(Furan-2-ylmethyl)-1,8-dimethyl-1H-purine-2,6(3H,7H)-dione

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
95%
in stock  
$50.00   $35.00
- +
100mg
95%
in stock  
$366.00   $257.00
- +
250mg
95%
in stock  
$684.00   $479.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0053Z4
Chemical Name:
3-(Furan-2-ylmethyl)-1,8-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS Number:
80288-49-9
Molecular Formula:
C12H12N4O3
Molecular Weight:
260.2487
MDL Number:
MFCD00153799
SMILES:
Cc1[nH]c2c(n1)n(Cc1ccco1)c(=O)n(c2=O)C
Properties
Properties
 
Form:
Solid  
MP:
>162°C (dec.)  
Storage:
Light sensitive;Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
402  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
0.6  

Literature

Title: Relative contribution of rat CYP isoforms responsible for stereoselective metabolism of carvedilol.

Journal: The Journal of toxicological sciences 20180101

Title: Investigation of a novel series of 2-hydroxyisoquinoline-1,3(2H,4H)-diones as human immunodeficiency virus type 1 integrase inhibitors.

Journal: Journal of medicinal chemistry 20140612

Title: DNA adducts of the tobacco carcinogens 2-amino-9H-pyrido[2,3-b]indole and 4-aminobiphenyl are formed at environmental exposure levels and persist in human hepatocytes.

Journal: Chemical research in toxicology 20130916

Title: Interactions of sesquiterpenes zederone and germacrone with the human cytochrome P450 system.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20130901

Title: Characterization of chicken cytochrome P450 1A4 and 1A5: inter-paralog comparisons of substrate preference and inhibitor selectivity.

Journal: Comparative biochemistry and physiology. Toxicology & pharmacology : CBP 20130501

Title: Direct and metabolism-dependent cytochrome P450 inhibition assays for evaluating drug-drug interactions.

Journal: Journal of applied toxicology : JAT 20130201

Title: Characterization of intestinal and hepatic P450 enzymes in cynomolgus monkeys with typical substrates and inhibitors for human P450 enzymes.

Journal: Xenobiotica; the fate of foreign compounds in biological systems 20120801

Title: Non-dioxin-like AhR ligands in a mouse peanut allergy model.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20120701

Title: Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions.

Journal: Journal of medicinal chemistry 20120524

Title: Development of a whole-cell screening system for evaluation of the human CYP1A2-mediated metabolism.

Journal: Biotechnology and bioengineering 20111201

Title: Role of P450 1A1 and P450 1A2 in bioactivation versus detoxication of the renal carcinogen aristolochic acid I: studies in Cyp1a1-/-, Cyp1a2-/-, and Cyp1a1/1a2-/- mice.

Journal: Chemical research in toxicology 20111017

Title: Fine-tuning the selectivity of aldosterone synthase inhibitors: structure-activity and structure-selectivity insights from studies of heteroaryl substituted 1,2,5,6-tetrahydropyrrolo[3,2,1-ij]quinolin-4-one derivatives.

Journal: Journal of medicinal chemistry 20110414

Title: Chemical inhibitors of cytochrome P450 isoforms in human liver microsomes: a re-evaluation of P450 isoform selectivity.

Journal: European journal of drug metabolism and pharmacokinetics 20110301

Title: New drug-like hydroxyphenylnaphthol steroidomimetics as potent and selective 17β-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of estrogen-dependent diseases.

Journal: Journal of medicinal chemistry 20110127

Title: CYP1A2-mediated biotransformation of cardioactive 2-thienylidene-3,4-methylenedioxybenzoylhydrazine (LASSBio-294) by rat liver microsomes and human recombinant CYP enzymes.

Journal: European journal of medicinal chemistry 20110101

Title: Characterization of glutathione conjugates of duloxetine by mass spectrometry and evaluation of in silico approaches to rationalize the site of conjugation for thiophene containing drugs.

Journal: Chemical research in toxicology 20100816

Title: Comparative study of the oxidation of propranolol enantiomers in hepatic and small intestinal microsomes from cynomolgus and marmoset monkeys.

Journal: Chemico-biological interactions 20100105

Title: Identification of the human cytochrome P450 enzymes involved in the two oxidative steps in the bioactivation of clopidogrel to its pharmacologically active metabolite.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20100101

Title: Characterization of cardamonin metabolism by P450 in different species via HPLC-ESI-ion trap and UPLC-ESI-quadrupole mass spectrometry.

Journal: Acta pharmacologica Sinica 20091001

Title: Identification of new 2-amino-3-methylimidazo[4,5-f]quinoline urinary metabolites from beta-naphthoflavone-treated mice.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20090801

Title: Functional expression, inhibition and induction of CYP enzymes in HepaRG cells.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20090601

Title: Acetaminophen and lipopolysaccharide act in synergy for the production of pro-inflammatory cytokines in murine RAW264.7 macrophages.

Journal: Journal of immunotoxicology 20090601

Title: Involvement of the CYP1A subfamily in stereoselective metabolism of carvedilol in beta-naphthoflavone-treated Caco-2 cells.

Journal: Biological & pharmaceutical bulletin 20090301

Title: In vitro nimesulide studies toward understanding idiosyncratic hepatotoxicity: diiminoquinone formation and conjugation.

Journal: Chemical research in toxicology 20090101

Title: Effect of diethyldithiocarbamate (DDC) and ticlopidine on CYP1A2 activity and caffeine metabolism: an in vitro comparative study with human cDNA-expressed CYP1A2 and liver microsomes.

Journal: Pharmacological reports : PR 20090101

Title: In vivo active aldosterone synthase inhibitors with improved selectivity: lead optimization providing a series of pyridine substituted 3,4-dihydro-1H-quinolin-2-one derivatives.

Journal: Journal of medicinal chemistry 20081225

Title: Pharmacologic profiling of human and rat cytochrome P450 1A1 and 1A2 induction and competition.

Journal: Archives of toxicology 20081201

Title: Novel aldosterone synthase inhibitors with extended carbocyclic skeleton by a combined ligand-based and structure-based drug design approach.

Journal: Journal of medicinal chemistry 20081009

Title: Overcoming undesirable CYP1A2 inhibition of pyridylnaphthalene-type aldosterone synthase inhibitors: influence of heteroaryl derivatization on potency and selectivity.

Journal: Journal of medicinal chemistry 20080828

Title: Design, synthesis, and biological evaluation of (hydroxyphenyl)naphthalene and -quinoline derivatives: potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) for the treatment of estrogen-dependent diseases.

Journal: Journal of medicinal chemistry 20080410

Title: Progress curve analysis of CYP1A2 inhibition: a more informative approach to the assessment of mechanism-based inactivation?

Journal: Drug metabolism and disposition: the biological fate of chemicals 20071201

Title: In vitro approaches to investigate mechanism-based inactivation of CYP enzymes.

Journal: Expert opinion on drug metabolism & toxicology 20070601

Title: OPC-67683, a nitro-dihydro-imidazooxazole derivative with promising action against tuberculosis in vitro and in mice.

Journal: PLoS medicine 20061101

Title: Identification of human hepatic cytochrome P450 enzymes involved in the metabolism of 8-prenylnaringenin and isoxanthohumol from hops (Humulus lupulus L.).

Journal: Drug metabolism and disposition: the biological fate of chemicals 20060701

Title: Automated assessment of time-dependent inhibition of human cytochrome P450 enzymes using liquid chromatography-tandem mass spectrometry analysis.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20051101

Title: Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity.

Journal: Current drug metabolism 20051001

Title: Automated screening with confirmation of mechanism-based inactivation of CYP3A4, CYP2C9, CYP2C19, CYP2D6, and CYP1A2 in pooled human liver microsomes.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20050801

Title: Characterization of microsomal cytochrome P450-dependent monooxygenases in the rat olfactory mucosa.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20050801

Title: Rate-limiting biotransformation of triamterene is mediated by CYP1A2.

Journal: International journal of clinical pharmacology and therapeutics 20050701

Title: The effect of ketoconazole on the pharmacokinetics of a selective alpha 1A-adrenoceptor antagonist.

Journal: Journal of clinical pharmacology 20050601

Title: A study of the in vitro interaction between lidocaine and premedications using human liver microsomes.

Journal: Journal of clinical pharmacy and therapeutics 20050401

Title: Development and validation of a high-throughput radiometric cyp2c9 inhibition assay using tritiated diclofenac.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20050301

Title: Molecular cloning and functional analysis of cytochrome P450 1A2 from Japanese monkey liver: comparison with marmoset cytochrome P450 1A2.

Journal: Chemico-biological interactions 20050227

Title: Metabolism of territrem B and C in liver microsomes from 14-wk-old Wistar rats is catalyzed by cytochrome P-450 3A.

Journal: Journal of toxicology and environmental health. Part A 20050227

Title: Cytochromes 1A1/1B1- and catechol-O-methyltransferase-derived metabolites mediate estradiol-induced antimitogenesis in human cardiac fibroblast.

Journal: The Journal of clinical endocrinology and metabolism 20050101

Title: Effects of avasimibe on cytochrome P450 2C9 expression in vitro and in vivo.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20041201

Title: [Mechanism of mono-hydroxylation of daidzein in human liver microsomes].

Journal: Yao xue xue bao = Acta pharmaceutica Sinica 20041101

Title: Drug-drug interactions of Z-338, a novel gastroprokinetic agent, with terfenadine, comparison with cisapride, and involvement of UGT1A9 and 1A8 in the human metabolism of Z-338.

Journal: European journal of pharmacology 20040823

Title: Involvement of cytochrome P450 1A2 in the biotransformation of trans-resveratrol in human liver microsomes.

Journal: Biochemical pharmacology 20040815

Title: Identification of cytochrome P-450s involved in the formation of APNH from norharman with aniline.

Journal: Mutation research 20040808

Title: Validated assays for human cytochrome P450 activities.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20040601

Title: Cyp1a2 protects against reactive oxygen production in mouse liver microsomes.

Journal: Free radical biology & medicine 20040301

Title: Identification of the human cytochrome P450s responsible for the in vitro metabolism of a leukotriene B4 receptor antagonist, CP-195,543.

Journal: Xenobiotica; the fate of foreign compounds in biological systems 20031201

Title: Selectivities of human cytochrome P450 inhibitors toward rat P450 isoforms: study with cDNA-expressed systems of the rat.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20030701

Title: Identification of the cytochrome P450 enzymes involved in the N-oxidation of voriconazole.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20030501

Title: High-throughput inhibition screening of major human cytochrome P450 enzymes using an in vitro cocktail and liquid chromatography-tandem mass spectrometry.

Journal: Journal of pharmaceutical and biomedical analysis 20030101

Title: The presence of inducible cytochrome P450 types 1A1 and 1A2 in the BeWo cell line.

Journal: Placenta 20030101

Title: Role of specific cytochrome P450 enzymes in the N-oxidation of the antiarrhythmic agent mexiletine.

Journal: Xenobiotica; the fate of foreign compounds in biological systems 20030101

Title: Liquid chromatography/tandem mass spectrometric determination of inhibition of human cytochrome P450 isozymes by resveratrol and resveratrol-3-sulfate.

Journal: Rapid communications in mass spectrometry : RCM 20030101

Title: Metabolism of heterocyclic aromatic amines by human hepatocytes and cytochrome P4501A2.

Journal: Mutation research 20020930

Title: Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells.

Journal: The Journal of biological chemistry 20020419

Title: The alkaloid rutaecarpine is a selective inhibitor of cytochrome P450 1A in mouse and human liver microsomes.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20020301

Title: Cytochrome P450 enzymes contributing to demethylation of maprotiline in man.

Journal: Pharmacology & toxicology 20020301

Title: Differential metabolism of 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine in rat and human hepatocytes.

Journal: Carcinogenesis 20020101

Title: Diazinon is activated by CYP2C19 in human liver.

Journal: Toxicology and applied pharmacology 20011115

Title: Contribution of CYP1A2 in the hepatic metabolism of melatonin: studies with isolated microsomal preparations and liver slices.

Journal: Journal of pineal research 20011101

Title: Regioselective differences in C(8)- and N-oxidation of 2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline by human and rat liver microsomes and cytochromes P450 1A2.

Journal: Chemical research in toxicology 20010701

Title: Azole-antifungal binding to a novel cytochrome P450 from Mycobacterium tuberculosis: implications for treatment of tuberculosis.

Journal: Biochemical pharmacology 20010615

Title: Differential effects of fluvoxamine and other antidepressants on the biotransformation of melatonin.

Journal: Journal of clinical psychopharmacology 20010401

Title: High-throughput cytochrome P450 (CYP) inhibition screening via a cassette probe-dosing strategy. V. Validation of a direct injection/on-line guard cartridge extraction--tandem mass spectrometry method for CYP1A2 inhibition assessment.

Journal: European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences 20010201

Title: Metabolism of 2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline in human hepatocytes: 2-amino-3-methylimidazo[4,5-f]quinoxaline-8-carboxylic acid is a major detoxification pathway catalyzed by cytochrome P450 1A2.

Journal: Chemical research in toxicology 20010201

Title: Comparison of three different in vitro mutation assays used for the investigation of cytochrome P450-mediated mutagenicity of nitro-polycyclic aromatic hydrocarbons.

Journal: Mutation research 20000323

Title: Cytochrome P450 isoform selectivity in human hepatic theobromine metabolism.

Journal: British journal of clinical pharmacology 19990301

Title: Identification of enzymes involved in the metabolism of atrazine, terbuthylazine, ametryne, and terbutryne in human liver microsomes.

Journal: Chemical research in toxicology 19970901

Title: Assessing human risk to heterocyclic amines.

Journal: Mutation research 19970512

Title: Human cytochrome P450 isoform specificity in the regioselective metabolism of toluene and o-, m- and p-xylene.

Journal: The Journal of pharmacology and experimental therapeutics 19960101

Title: Metabolism of the food derived mutagen and carcinogen 2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridine (PhIP) by human liver microsomes.

Journal: Carcinogenesis 19940601

Title: Sesardic D, et al. Furafylline is a potent and selective inhibitor of cytochrome P450IA2 in man. Br J Clin Pharmacol. 1990 Jun;29(6):651-63.

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Related Products of 80288-49-9
Tags:80288-49-9 Molecular Formula|80288-49-9 MDL|80288-49-9 SMILES|80288-49-9 3-(Furan-2-ylmethyl)-1,8-dimethyl-1H-purine-2,6(3H,7H)-dione