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MedKoo Cat#: 413534 | Name: Denufosol Free Base

Description:

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

Denufosol Free Base is used for treatment of cystic fibrosis.

Chemical Structure

Denufosol Free Base
Denufosol Free Base
CAS#211448-85-0 (free base)

Theoretical Analysis

MedKoo Cat#: 413534

Name: Denufosol Free Base

CAS#: 211448-85-0 (free base)

Chemical Formula: C18H27N5O21P4

Exact Mass: 773.0149

Molecular Weight: 773.32

Elemental Analysis: C, 27.96; H, 3.52; N, 9.06; O, 43.45; P, 16.02

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
211448-85-0 (free base) 318250-11-2 (sodium)
Synonym
Denufosol Free Base; INS3721; INS-3721; INS 3721
IUPAC/Chemical Name
P(1)-(Uridine 5')-P(4)-(2'-deoxycytidine 5')tetraphosphate, tetrasodium salt
InChi Key
FPNPSEMJLALQSA-MIYUEGBISA-N
InChi Code
InChI=1S/C18H27N5O21P4/c19-11-1-3-22(17(28)20-11)13-5-8(24)9(40-13)6-38-45(30,31)42-47(34,35)44-48(36,37)43-46(32,33)39-7-10-14(26)15(27)16(41-10)23-4-2-12(25)21-18(23)29/h1-4,8-10,13-16,24,26-27H,5-7H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H2,19,20,28)(H,21,25,29)/t8-,9+,10+,13+,14+,15+,16+/m0/s1
SMILES Code
NC1=NC(N([C@H]2C[C@@H]([C@H](O2)COP(O)(OP(O)(OP(O)(OP(O)(OC[C@H]3O[C@@H](N4C=CC(NC4=O)=O)[C@@H]([C@@H]3O)O)=O)=O)=O)=O)O)C=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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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
Solvent mg/mL mM
Solubility
To be determined 0.0 0.00
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 773.32 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
1: Kellerman D, Rossi Mospan A, Engels J, Schaberg A, Gorden J, Smiley L. Denufosol: a review of studies with inhaled P2Y(2) agonists that led to Phase 3. Pulm Pharmacol Ther. 2008 Aug;21(4):600-7. doi: 10.1016/j.pupt.2007.12.003. Epub 2007 Dec 31. PMID: 18276176. 2: Accurso FJ, Moss RB, Wilmott RW, Anbar RD, Schaberg AE, Durham TA, Ramsey BW; TIGER-1 Investigator Study Group. Denufosol tetrasodium in patients with cystic fibrosis and normal to mildly impaired lung function. Am J Respir Crit Care Med. 2011 Mar 1;183(5):627-34. doi: 10.1164/rccm.201008-1267OC. Epub 2010 Dec 17. PMID: 21169471. 3: Ratjen F, Durham T, Navratil T, Schaberg A, Accurso FJ, Wainwright C, Barnes M, Moss RB; TIGER-2 Study Investigator Group. Long term effects of denufosol tetrasodium in patients with cystic fibrosis. J Cyst Fibros. 2012 Dec;11(6):539-49. doi: 10.1016/j.jcf.2012.05.003. Epub 2012 Jun 8. PMID: 22682898. 4: Deterding R, Retsch-Bogart G, Milgram L, Gibson R, Daines C, Zeitlin PL, Milla C, Marshall B, Lavange L, Engels J, Mathews D, Gorden J, Schaberg A, Williams J, Ramsey B; Cystic Fibrosis Foundation Therapeutics Development Network. Safety and tolerability of denufosol tetrasodium inhalation solution, a novel P2Y2 receptor agonist: results of a phase 1/phase 2 multicenter study in mild to moderate cystic fibrosis. Pediatr Pulmonol. 2005 Apr;39(4):339-48. doi: 10.1002/ppul.20192. PMID: 15704203. 5: Deterding RR, Lavange LM, Engels JM, Mathews DW, Coquillette SJ, Brody AS, Millard SP, Ramsey BW; Cystic Fibrosis Therapeutics Development Network and the Inspire 08-103 Working Group. Phase 2 randomized safety and efficacy trial of nebulized denufosol tetrasodium in cystic fibrosis. Am J Respir Crit Care Med. 2007 Aug 15;176(4):362-9. doi: 10.1164/rccm.200608-1238OC. Epub 2007 Apr 19. PMID: 17446337. 6: Moss RB. Pitfalls of drug development: lessons learned from trials of denufosol in cystic fibrosis. J Pediatr. 2013 Apr;162(4):676-80. doi: 10.1016/j.jpeds.2012.11.034. Epub 2013 Jan 3. PMID: 23290508. 7: Goss CH, McKone EF, Mathews D, Kerr D, Wanger JS, Millard SP; Cystic Fibrosis Therapeutics Development Network. Experience using centralized spirometry in the phase 2 randomized, placebo-controlled, double-blind trial of denufosol in patients with mild to moderate cystic fibrosis. J Cyst Fibros. 2008 Mar;7(2):147-53. doi: 10.1016/j.jcf.2007.07.006. Epub 2007 Aug 28. PMID: 17728193. 8: Kunzelmann K, Ousingsawat J, Cabrita I, Doušová T, Bähr A, Janda M, Schreiber R, Benedetto R. TMEM16A in Cystic Fibrosis: Activating or Inhibiting? Front Pharmacol. 2019 Jan 29;10:3. doi: 10.3389/fphar.2019.00003. PMID: 30761000; PMCID: PMC6362895. 9: Pettit RS, Johnson CE. Airway-rehydrating agents for the treatment of cystic fibrosis: past, present, and future. Ann Pharmacother. 2011 Jan;45(1):49-59. doi: 10.1345/aph.1P428. Epub 2010 Dec 14. PMID: 21156814. 10: Appy L, Chardet C, Peyrottes S, Roy B. Synthetic Strategies for Dinucleotides Synthesis. Molecules. 2019 Nov 27;24(23):4334. doi: 10.3390/molecules24234334. PMID: 31783537; PMCID: PMC6930578.