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MedKoo Cat#: 329005 | Name: Doxofylline
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Description:

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

Doxofylline, also known as Ansimar and ABC-12-3, is a novel xanthine bronchodilator. Doxofylline's mechanism of action is related to the inhibition of phosphodiesterase activities, but it appears to have decreased affinities towards adenosine A1 and A2 receptors, which may account for its better safety profile.

Chemical Structure

Doxofylline
Doxofylline
CAS#69975-86-6

Theoretical Analysis

MedKoo Cat#: 329005

Name: Doxofylline

CAS#: 69975-86-6

Chemical Formula: C11H14N4O4

Exact Mass: 266.1015

Molecular Weight: 266.26

Elemental Analysis: C, 49.62; H, 5.30; N, 21.04; O, 24.04

Price and Availability

Size Price Availability Quantity
1g USD 250.00 2 weeks
5g USD 650.00 2 weeks
10g USD 950.00 2 weeks
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Related CAS #
No Data
Synonym
Doxofylline; Ansimar; Dioxyfilline; ABC-12-3; ABC123; ABC 123; ABC-123; ALT-07; ALT 07; ALT07; DO 309; DO309; DO-309; NSC-759645; NSC759645; NSC 759645;
IUPAC/Chemical Name
7-((1,3-dioxolan-2-yl)methyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
InChi Key
HWXIGFIVGWUZAO-UHFFFAOYSA-N
InChi Code
InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3
SMILES Code
O=C(N1C)N(C)C2=C(N(CC3OCCO3)C=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
>2 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
2934.99.9001
More Info
Product Data
Product Data
Instruction
View handling instruction
Biological target:
Doxofylline is an orally active PDE IV inhibitor and A1AR antagonist.
In vitro activity:
The presence of doxofylline reduces LPS-induced production of NO and PGE2. Doxofylline also inhibits LPS-induced production of mitochondrial ROS. Mechanistically, this study shows that doxofylline suppresses the expression of NOX4 induced by LPS. Collectively, this study demonstrates that doxofylline mitigates epithelial inflammation via amelioration of multiple cellular pathways, including NLRP3-TXNIP inflammasome activation. Reference: Artif Cells Nanomed Biotechnol. 2020 Dec;48(1):687-694. https://pubmed.ncbi.nlm.nih.gov/32098511/
In vivo activity:
Doxofylline at 1 and 0.3, but not at 0.1 mg/kg, significantly inhibit neutrophil recruitment to the lung induced by LPS (LPS: 208.4 ± 14.5 versus doxofylline: 1 mg/kg: 106.2 ± 4.8; 0.3 mg/kg: 105.3 ± 10.7 × 10(4) cells/ml). Doxofylline significantly inhibited IL-6 and TNF-α release into BAL fluid in comparison to LPS-treated animals (LPS: 1255.6 ± 143.9 versus doxofylline 1 mg/kg: 527.7 ± 182.9; 0.3 mg/kg: 823.2 ± 102.3 pg/ml). Doxofylline inhibits LPS-induced inflammation in the lungs of mice. Reference: Pulm Pharmacol Ther. 2014 Apr;27(2):170-8. https://pubmed.ncbi.nlm.nih.gov/24456641/
Solvent mg/mL mM
Solubility
DMF 20.0 75.12
DMSO 41.0 153.99
DMSO:PBS (pH 7.2) (1:1) 0.5 1.88
Ethanol 1.3 4.69
Water 24.5 92.02
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 266.26 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
Formulation protocol:
1. Jiao P, Li W, Shen L, Li Y, Yu L, Liu Z. The protective effect of doxofylline against lipopolysaccharides (LPS)-induced activation of NLRP3 inflammasome is mediated by SIRT1 in human pulmonary bronchial epithelial cells. Artif Cells Nanomed Biotechnol. 2020 Dec;48(1):687-694. doi: 10.1080/21691401.2020.1730391. PMID: 32098511. 2. Talmon M, Massara E, Brunini C, Fresu LG. Comparison of anti-inflammatory mechanisms between doxofylline and theophylline in human monocytes. Pulm Pharmacol Ther. 2019 Dec;59:101851. doi: 10.1016/j.pupt.2019.101851. Epub 2019 Sep 26. PMID: 31563516. 3. Riffo-Vasquez Y, Man F, Page CP. Doxofylline, a novofylline inhibits lung inflammation induced by lipopolysacharide in the mouse. Pulm Pharmacol Ther. 2014 Apr;27(2):170-8. doi: 10.1016/j.pupt.2014.01.001. Epub 2014 Jan 21. PMID: 24456641. 4. Franzone JS, Cirillo R, Biffignandi P. Doxofylline exerts a prophylactic effect against bronchoconstriction and pleurisy induced by PAF. Eur J Pharmacol. 1989 Jun 20;165(2-3):269-77. doi: 10.1016/0014-2999(89)90721-8. PMID: 2776832.
In vitro protocol:
1. Jiao P, Li W, Shen L, Li Y, Yu L, Liu Z. The protective effect of doxofylline against lipopolysaccharides (LPS)-induced activation of NLRP3 inflammasome is mediated by SIRT1 in human pulmonary bronchial epithelial cells. Artif Cells Nanomed Biotechnol. 2020 Dec;48(1):687-694. doi: 10.1080/21691401.2020.1730391. PMID: 32098511. 2. Talmon M, Massara E, Brunini C, Fresu LG. Comparison of anti-inflammatory mechanisms between doxofylline and theophylline in human monocytes. Pulm Pharmacol Ther. 2019 Dec;59:101851. doi: 10.1016/j.pupt.2019.101851. Epub 2019 Sep 26. PMID: 31563516.
In vivo protocol:
1. Riffo-Vasquez Y, Man F, Page CP. Doxofylline, a novofylline inhibits lung inflammation induced by lipopolysacharide in the mouse. Pulm Pharmacol Ther. 2014 Apr;27(2):170-8. doi: 10.1016/j.pupt.2014.01.001. Epub 2014 Jan 21. PMID: 24456641. 2. Franzone JS, Cirillo R, Biffignandi P. Doxofylline exerts a prophylactic effect against bronchoconstriction and pleurisy induced by PAF. Eur J Pharmacol. 1989 Jun 20;165(2-3):269-77. doi: 10.1016/0014-2999(89)90721-8. PMID: 2776832.
1: Zhang Y, Zeng K, Wang J, Gao H, Nan Y, Zheng X. Identifying the antiasthmatic target of doxofylline using immobilized β2 -adrenoceptor based high-performance affinity chromatography and site-directed molecular docking. J Mol Recognit. 2016 Oct;29(10):492-8. doi: 10.1002/jmr.2549. Epub 2016 May 12. PubMed PMID: 27173639. 2: Lal D, Manocha S, Ray A, Vijayan VK, Kumar R. Comparative study of the efficacy and safety of theophylline and doxofylline in patients with bronchial asthma and chronic obstructive pulmonary disease. J Basic Clin Physiol Pharmacol. 2015 Sep;26(5):443-51. doi: 10.1515/jbcpp-2015-0006. PubMed PMID: 25894641. 3: Rajanandh MG, Nageswari AD, Ilango K. Assessment of montelukast, doxofylline, and tiotropium with budesonide for the treatment of asthma: which is the best among the second-line treatment? A randomized trial. Clin Ther. 2015 Feb 1;37(2):418-26. doi: 10.1016/j.clinthera.2014.12.008. Epub 2015 Jan 8. PubMed PMID: 25577543. 4: Riffo-Vasquez Y, Man F, Page CP. Doxofylline, a novofylline inhibits lung inflammation induced by lipopolysacharide in the mouse. Pulm Pharmacol Ther. 2014 Apr;27(2):170-8. doi: 10.1016/j.pupt.2014.01.001. Epub 2014 Jan 21. PubMed PMID: 24456641. 5: Rajanandh MG, Nageswari AD, Ilango K. Pulmonary function assessment in mild to moderate persistent asthma patients receiving montelukast, doxofylline, and tiotropium with budesonide: a randomized controlled study. Clin Ther. 2014 Apr 1;36(4):526-33. doi: 10.1016/j.clinthera.2014.02.006. Epub 2014 Mar 17. PubMed PMID: 24650447. 6: Samanthula G, Yadiki K, Saladi S, Gutala S, Surendranath KV. Stability-Indicating RP-HPLC Method for the Simultaneous Estimation of Doxofylline and Terbutalinesulphate in Pharmaceutical Formulations. Sci Pharm. 2013 Jul 14;81(4):969-82. doi: 10.3797/scipharm.1305-14. eCollection 2013 Dec. PubMed PMID: 24482767; PubMed Central PMCID: PMC3867251. 7: Rao RN, Naidu ChG, Prasad KG, Santhakumar B, Saida S. Development and validation of a stability indicating assay of doxofylline by RP-HPLC: ESI-MS/MS, ¹H and ¹³C NMR spectroscopic characterization of degradation products and process related impurities. J Pharm Biomed Anal. 2013 May 5;78-79:92-9. doi: 10.1016/j.jpba.2013.02.004. Epub 2013 Feb 14. PubMed PMID: 23466440. 8: Rao RN, Prasad KG, Naidu ChG, Saida S, Agwane SB. Development of a validated LC-MS/MS method for determination of doxofylline on rat dried blood spots and urine: application to pharmacokinetics. J Pharm Biomed Anal. 2013 May 5;78-79:211-6. doi: 10.1016/j.jpba.2013.02.017. Epub 2013 Feb 20. PubMed PMID: 23501441. 9: Xu F, Feng E, Su L, Xu G. Doxofylline and methylprednisolone sodium succinate are stable and compatible under normal injection conditions. Pak J Pharm Sci. 2013 Mar;26(2):261-5. PubMed PMID: 23455194. 10: Li XP, Zhang CL, Gao P, Gao J, Liu D. Effects of andrographolide on the pharmacokinetics of aminophylline and doxofylline in rats. Drug Res (Stuttg). 2013 May;63(5):258-62. doi: 10.1055/s-0033-1341432. Epub 2013 Mar 28. PubMed PMID: 23539425. 11: Patil PS, Hamrapurkar PD, Phale MD, Desai MI, Pawar SB. Study of doxofylline and its degradation products in bulk drug by a newly developed stability-indicating HPLC method. J AOAC Int. 2013 Jul-Aug;96(4):765-70. PubMed PMID: 24000749. 12: Wang T, Luo G, Hu Y, Li F, Ma J, Wang J, Zuo P, Xiong W, Liu X, Zhao J, Xiong S, Zhang Z, Li C, Zhao S, Sun J, Xu Y. Comparative study on the efficacy of tiotropium bromide inhalation and oral doxofylline treatment of moderate to severe stable chronic obstructive pulmonary disease. J Huazhong Univ Sci Technolog Med Sci. 2011 Oct;31(5):614-8. doi: 10.1007/s11596-011-0570-5. Epub 2011 Oct 25. PubMed PMID: 22038349. 13: van Mastbergen J, Jolas T, Allegra L, Page CP. The mechanism of action of doxofylline is unrelated to HDAC inhibition, PDE inhibition or adenosine receptor antagonism. Pulm Pharmacol Ther. 2012 Feb;25(1):55-61. doi: 10.1016/j.pupt.2011.10.007. Epub 2011 Nov 25. PubMed PMID: 22138191. 14: Akram MF, Nasiruddin M, Ahmad Z, Ali Khan R. Doxofylline and theophylline: a comparative clinical study. J Clin Diagn Res. 2012 Dec;6(10):1681-4. doi: 10.7860/JCDR/2012/4697.2643. Epub 2012 Dec 15. PubMed PMID: 23373027; PubMed Central PMCID: PMC3552203. 15: Xu F, Xu G, Su L, Feng E. Stability and compatibility of doxofylline with phentolamine mesilate in 0.9% sodium chloride or 5% dextrose injection for intravenous infusion. J Clin Pharm Ther. 2011 Feb;36(1):99-102. doi: 10.1111/j.1365-2710.2010.01160.x. Epub 2010 Oct 19. PubMed PMID: 21198724.