WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 592258

CAS#: 69-89-6

Description: Xanthine is a purine base found in most body tissues and fluids, certain plants, and some urinary calculi. It is an intermediate in the degradation of adenosine monophosphate to uric acid, being formed by oxidation of hypoxanthine. The methylated xanthine compounds caffeine, theobromine, and theophylline and their derivatives are used in medicine for their bronchodilator effects.

Chemical Structure

CAS# 69-89-6

Theoretical Analysis

MedKoo Cat#: 592258
Name: Xanthine
CAS#: 69-89-6
Chemical Formula: C5H4N4O2
Exact Mass: 152.0334
Molecular Weight: 152.11
Elemental Analysis: C, 39.48; H, 2.65; N, 36.83; O, 21.04

Price and Availability

Size Price Availability Quantity
5.0g USD 270.0 2 Weeks
10.0g USD 430.0 2 Weeks
25.0g USD 710.0 2 Weeks
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Synonym: Xanthine

IUPAC/Chemical Name: 1H-Purine-2,6-dione, 3,7-dihydro-


InChi Code: InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)

SMILES Code: O=C(N1)NC2=C(NC=N2)C1=O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.03.00

Preparing Stock Solutions

The following data is based on the product molecular weight 152.11 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Drugs and Lactation Database (LactMed) [Internet]. Bethesda (MD): National Library of Medicine (US); 2006-. Available from http://www.ncbi.nlm.nih.gov/books/NBK501476/ PubMed PMID: 30000536.

2: Drugs and Lactation Database (LactMed) [Internet]. Bethesda (MD): National Library of Medicine (US); 2006-. Available from http://www.ncbi.nlm.nih.gov/books/NBK501467/ PubMed PMID: 30000527.

3: Drugs and Lactation Database (LactMed) [Internet]. Bethesda (MD): National Library of Medicine (US); 2006-. Available from http://www.ncbi.nlm.nih.gov/books/NBK501382/ PubMed PMID: 30000441.

4: Drugs and Lactation Database (LactMed) [Internet]. Bethesda (MD): National Library of Medicine (US); 2006-. Available from http://www.ncbi.nlm.nih.gov/books/NBK501109/ PubMed PMID: 30000168.

5: Omolekulo TE, Areola ED, Badmus OO, Michael OS, Kim I, Olatunji LA. Adenosine deaminase and xanthine oxidase inhibitory effect of valproic acid abates glucose dysregulation and liver triglyceride accumulation independent of corticosteroids in estrogen/progestin-treated female rats. Can J Physiol Pharmacol. 2018 Jul 12. doi: 10.1139/cjpp-2018-0231. [Epub ahead of print] PubMed PMID: 30001502.

6: Koch P, Brunschweiger A, Namasivayam V, Ullrich S, Maruca A, Lazzaretto B, Küppers P, Hinz S, Hockemeyer J, Wiese M, Heer J, Alcaro S, Kiec-Kononowicz K, Müller CE. Probing Substituents in the 1- and 3-Position: Tetrahydropyrazino-Annelated Water-Soluble Xanthine Derivatives as Multi-Target Drugs With Potent Adenosine Receptor Antagonistic Activity. Front Chem. 2018 Jun 26;6:206. doi: 10.3389/fchem.2018.00206. eCollection 2018. PubMed PMID: 29998095; PubMed Central PMCID: PMC6028563.

7: Ren XS, Ding W, Yang XY. [Icariin alleviates lipid peroxidation after spinal cord injury in rats]. Nan Fang Yi Ke Da Xue Xue Bao. 2018 Jun 20;38(6):711-715. Chinese. PubMed PMID: 29997094.

8: Singh TP, Skalina T, Nour D, Murali A, Morrison S, Moxon JV, Golledge J. A meta-analysis of the efficacy of allopurinol in reducing the incidence of myocardial infarction following coronary artery bypass grafting. BMC Cardiovasc Disord. 2018 Jul 11;18(1):143. doi: 10.1186/s12872-018-0881-6. PubMed PMID: 29996770.

9: Sugahara S, Chiyo A, Fukuoka K, Ueda Y, Tokunaga Y, Nishida Y, Kinoshita H, Matsuda Y, Igoshi K, Ono M, Yasuda S. Unique antioxidant effects of herbal leaf tea and stem tea from Moringa oleifera L. especially on superoxide anion radical generation systems. Biosci Biotechnol Biochem. 2018 Jul 11:1-12. doi: 10.1080/09168451.2018.1495552. [Epub ahead of print] PubMed PMID: 29993353.

10: Kopiec G, Starzec K, Kochana J, Kinnunen-Skidmore TP, Schuhmann W, Campbell WH, Ruff A, Plumeré N. Bioelectrocatalytic and electrochemical cascade for phosphate sensing with up to 6 electrons per analyte molecule. Biosens Bioelectron. 2018 Jun 25;117:501-507. doi: 10.1016/j.bios.2018.06.047. [Epub ahead of print] PubMed PMID: 29982120.

11: Sharifi-Rad J, Tayeboon GS, Niknam F, Sharifi-Rad M, Mohajeri M, Salehi B, Iriti M, Sharifi-Rad M. Veronica persica Poir. extract - antibacterial, antifungal and scolicidal activities, and inhibitory potential on acetylcholinesterase, tyrosinase, lipoxygenase and xanthine oxidase. Cell Mol Biol (Noisy-le-grand). 2018 Jun 25;64(8):50-56. PubMed PMID: 29981683.

12: Masuzaki H, Kozuka C, Okamoto S, Yonamine M, Tanaka H, Shimabukuro M. Brown rice-specific γ-oryzanol as a promising prophylactic avenue to protect against diabetes mellitus and obesity disease in humans. J Diabetes Investig. 2018 Jul 6. doi: 10.1111/jdi.12892. [Epub ahead of print] Review. PubMed PMID: 29978570.

13: Chen HW, Zhou W, Liao Y, Hu SC, Chen TL, Song ZC. Analysis of metabolic profiles of generalized aggressive periodontitis. J Periodontal Res. 2018 Jul 4. doi: 10.1111/jre.12579. [Epub ahead of print] PubMed PMID: 29974463.

14: Pogorelova TN, Nikashina AA, Gunko VO, Larichkin AV, Chebotarev DA. [Features of redox processes in the amniotic fluid at placental insufficiency]. Biomed Khim. 2018 Jun;64(3):290-297. doi: 10.18097/PBMC20186403290. Russian. PubMed PMID: 29964267.

15: Bocheva G, Valcheva-Traykova M, Landzhov B. Does hypothyroidism augment sun-induced skin damage? Redox Rep. 2018 Dec;23(1):180-187. doi: 10.1080/13510002.2018.1494421. PubMed PMID: 29962323.

16: Fukuyama Y, Hidaka K, Masuda A, Masuda T. Novel Xanthine Oxidase (XO) inhibitory phenylindanes produced by thermal reaction of caffeic acid. Biosci Biotechnol Biochem. 2018 Jul 2:1-4. doi: 10.1080/09168451.2018.1491287. [Epub ahead of print] PubMed PMID: 29961419.

17: Rao F, Chen Z, Zhou D, Kang Y, Guo L, Xue Y. DFT investigation on the metabolic mechanisms of theophylline by cytochrome P450 monooxygenase. J Mol Graph Model. 2018 Jun 22;84:109-117. doi: 10.1016/j.jmgm.2018.06.010. [Epub ahead of print] PubMed PMID: 29957347.

18: Zhou Q, Huang G, Yu X, Xu W. A Novel Approach to Estimate ROS Origination by Hyperbaric Oxygen Exposure, Targeted Probes and Specific Inhibitors. Cell Physiol Biochem. 2018 Jun 28;47(5):1800-1808. doi: 10.1159/000491061. [Epub ahead of print] PubMed PMID: 29953977.

19: Shih CH, Lee YC. Impaired retinal pigment epithelium in paclitaxel-induced macular edema: A case report. Medicine (Baltimore). 2018 Jun;97(26):e11229. doi: 10.1097/MD.0000000000011229. PubMed PMID: 29952984.

20: Zhong LL, Song YQ, Tian XY, Cao H, Ju KJ. Level of uric acid and uric acid/creatinine ratios in correlation with stage of Parkinson disease. Medicine (Baltimore). 2018 Jun;97(26):e10967. doi: 10.1097/MD.0000000000010967. PubMed PMID: 29952939.