Theophylline hydrate | CAS#5967-84-0 | methyl xanthine derivative

MedKoo Cat#: 598176 | Name: Theophylline hydrate

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Description:

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

Theophylline is a methyl xanthine derivative from tea with diuretic, smooth muscle relaxant, bronchial dilation, cardiac and central nervous system stimulant activities. Theophylline inhibits the 3',5'-CYCLIC NUCLEOTIDE PHOSPHODIESTERASE that degrades CYCLIC AMP thus potentiates the actions of agents that act through ADENYLYL CYCLASES and cyclic AMP.

Chemical Structure

Theophylline hydrate

CAS#5967-84-0 (hydrate)

Theoretical Analysis

MedKoo Cat#: 598176

Name: Theophylline hydrate

CAS#: 5967-84-0 (hydrate)

Chemical Formula: C7H10N4O3

Exact Mass: 198.0753

Molecular Weight: 198.18

Elemental Analysis: C, 42.42; H, 5.09; N, 28.27; O, 24.22

Price and Availability

Size	Price	Availability
5g	USD 150.00	Ready to ship
10g	USD 200.00	Ready to ship
25g	USD 300.00	Ready to ship
50g	USD 450.00	Ready to ship

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Related CAS #

5967-84-0 (hydrate) 58-55-9 (anhydrous) 15766-94-6 (ephedrine) 117490-39-8 (deuterated）

Synonym

Theophylline; Theoclear-200; Theo-24; T-Phyl; Aerolate JR;

IUPAC/Chemical Name

1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrate

InChi Key

INQSMEFCAIHTJG-UHFFFAOYSA-N

InChi Code

InChI=1S/C7H8N4O2.H2O/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;/h3H,1-2H3,(H,8,9);1H2

SMILES Code

O=C(N1C)N(C)C2=C(NC=N2)C1=O.[H]O[H]

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

More Info

Certificate of Analysis

View CoA: current batch, Lot#AFL80913

Safety Data Sheet (SDS)

View Safety Data Sheet (SDS)

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 198.18 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.

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

1: Barnes PJ. Theophylline. Am J Respir Crit Care Med. 2013 Oct 15;188(8):901-6. doi: 10.1164/rccm.201302-0388PP. Review. PubMed PMID: 23672674. 2: Pacifici GM. Clinical pharmacology of theophylline in preterm infants: effects, metabolism and pharmacokinetics. Curr Pediatr Rev. 2014;10(4):297-303. Review. PubMed PMID: 25594527. 3: Fernández-Campos F, Ferrero C, Colom H, Jiménez-Castellanos MR. Invivo absorption behaviour of theophylline from starch-methyl methacrylate matrix tablets in beagle dogs. Int J Pharm. 2015 Jan 30;478(2):684-92. doi: 10.1016/j.ijpharm.2014.11.071. Epub 2014 Dec 2. PubMed PMID: 25476254. 4: DuBois B, Louey S, Giraud GD, Cherala G, Jonker SS. Theophylline Pharmacokinetics in Foetal Sheep: Maternal Metabolic Capacity is the Principal Driver. Basic Clin Pharmacol Toxicol. 2015 Oct;117(4):226-33. doi: 10.1111/bcpt.12395. Epub 2015 Mar 19. PubMed PMID: 25728792; PubMed Central PMCID: PMC4750914. 5: Voynikov Y, Valcheva V, Momekov G, Peikov P, Stavrakov G. Theophylline-7-acetic acid derivatives with amino acids as anti-tuberculosis agents. Bioorg Med Chem Lett. 2014 Jul 15;24(14):3043-5. doi: 10.1016/j.bmcl.2014.05.026. Epub 2014 May 17. PubMed PMID: 24878196. 6: Chae JW, An JH, Kang W, Ma Jy, Kwon KI. Effect of decursinol angelate on the pharmacokinetics of theophylline and its metabolites in rats. Food Chem Toxicol. 2012 Oct;50(10):3666-72. doi: 10.1016/j.fct.2012.06.049. Epub 2012 Jul 4. PubMed PMID: 22771369. 7: Aswini KK, Vinu Mohan AM, Biju VM. Molecularly imprinted poly(4-amino-5-hydroxy-2,7-naphthalenedisulfonic acid) modified glassy carbon electrode as an electrochemical theophylline sensor. Mater Sci Eng C Mater Biol Appl. 2016 Aug 1;65:116-25. doi: 10.1016/j.msec.2016.03.098. Epub 2016 Apr 3. PubMed PMID: 27157734. 8: Majumdar S, Mueller-Spaeth M, Sloan KB. Prodrugs of theophylline incorporating ethyleneoxy groups in the promoiety: synthesis, characterization, and transdermal delivery. AAPS PharmSciTech. 2012 Sep;13(3):853-62. doi: 10.1208/s12249-012-9803-6. Epub 2012 May 31. PubMed PMID: 22648150; PubMed Central PMCID: PMC3429689. 9: Takagi K, Hasegawa T, Ogura Y, Yamaki K, Suzuki R, Satake T, Imaeda N, Mizukami Y. Absorption of theophylline from a sustained-release theophylline tablet formulation, Theo-Dur. Int J Clin Pharmacol Ther Toxicol. 1987 Oct;25(10):530-5. PubMed PMID: 3429057. 10: Okuma M, Iikura Y. [Analysis of the theophylline pharmacokinetics of sustained-release theophylline (Theodur) dry syrup in children]. Arerugi. 1999 Jun;48(6):589-96. Japanese. PubMed PMID: 10423899. 11: Arkinstall WW, Hopkinson M, Rivington RN, Calcutt L, Aitken T, Stewart JH. The clinical significance of food-induced changes in the absorption of theophylline from Uniphyl tablets. J Allergy Clin Immunol. 1988 Aug;82(2):155-64. PubMed PMID: 3273483. 12: Boner AL, Bennati D, Valletta EA, Plebani M, Stevens MT, Scott JC. Evaluation of the effect of food on the absorption of sustained-release theophylline and comparison of two methods for serum theophylline analysis. J Clin Pharmacol. 1986 Nov-Dec;26(8):638-42. PubMed PMID: 3793957. 13: Mitsias DI, Vovolis V. Anaphylaxis to dimenhydrinate caused by the theophylline component. J Investig Allergol Clin Immunol. 2011;21(4):317-8. PubMed PMID: 21721380. 14: Hendeles L, Massanari M, Weinberger M. Update on the pharmacodynamics and pharmacokinetics of theophylline. Chest. 1985 Aug;88(2 Suppl):103S-111S. Review. PubMed PMID: 3893922. 15: Kawai H, Kokubun S, Matsumoto T, Kojima J, Onodera K. Pharmacokinetic study of theophylline in dogs after intravenous administration with and without ethylenediamine. Methods Find Exp Clin Pharmacol. 2000 Apr;22(3):179-84. PubMed PMID: 10893702. 16: Aslaksen A, Bakke OM, Vigander T. Comparative pharmacokinetics of theophylline and aminophylline in man. Br J Clin Pharmacol. 1981 Mar;11(3):269-73. PubMed PMID: 7213528; PubMed Central PMCID: PMC1401615. 17: Bierman CW, Williams PV. Therapeutic monitoring of theophylline. Rationale and current status. Clin Pharmacokinet. 1989 Dec;17(6):377-84. Review. PubMed PMID: 2689038. 18: Yamazaki M, Fukutomi O, Kondo N, Kato Z, Nakashima Y, Shinoda S, Agata H, Kondo T, Imaeda N, Orii T. The design of oral sustained-release theophylline dosing after conversion from intravenous to oral therapy. Int J Clin Pharmacol Ther. 1994 Nov;32(11):625-31. PubMed PMID: 7874380. 19: Tsai TH, Liu MC. Determination of unbound theophylline in rat blood and brain by microdialysis and liquid chromatography. J Chromatogr A. 2004 Apr 2;1032(1-2):97-101. PubMed PMID: 15065783. 20: Jonkman JH, Sollie FA, Sauter R, Steinijans VW. The influence of caffeine on the steady-state pharmacokinetics of theophylline. Clin Pharmacol Ther. 1991 Mar;49(3):248-55. PubMed PMID: 2007319.