MedKoo Cat#: 576251 | Name: Pradefovir mesylate

Description:

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

Pradefovir mesylate is an antiviral prodrug of adefovir.

Chemical Structure

Pradefovir mesylate
Pradefovir mesylate
CAS#625095-61-6

Theoretical Analysis

MedKoo Cat#: 576251

Name: Pradefovir mesylate

CAS#: 625095-61-6

Chemical Formula: C18H23ClN5O7PS

Exact Mass: 519.0744

Molecular Weight: 519.89

Elemental Analysis: C, 41.59; H, 4.46; Cl, 6.82; N, 13.47; O, 21.54; P, 5.96; S, 6.17

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 #
No Data
Synonym
Hepavir B; MB 06866Q; MB06866Q; MB-06866Q; Pradefovir mesylate; Remofovir mesylate
IUPAC/Chemical Name
9H-Purin-6-amine, 9-(2-(((2R,4S)-4-(3-chlorophenyl)-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-methoxy)ethyl)-, monomethanesulfonate;
InChi Key
JXQUAHHUSMJUFV-HZPZRMRQSA-N
InChi Code
InChI=1S/C17H19ClN5O4P.CH4O3S/c18-13-3-1-2-12(8-13)14-4-6-26-28(24,27-14)11-25-7-5-23-10-22-15-16(19)20-9-21-17(15)23;1-5(2,3)4/h1-3,8-10,14H,4-7,11H2,(H2,19,20,21);1H3,(H,2,3,4)/t14-,28+;/m0./s1
SMILES Code
CS(=O)(=O)O.Nc1ncnc2c1ncn2CCOC[P@@]3(=O)OCC[C@H](O3)c4cccc(Cl)c4
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

Preparing Stock Solutions

The following data is based on the product molecular weight 519.89 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: Xiao Q, Wang D, Yang W, Chen L, Ding Y, Yang J. Simultaneous determination of pradefovir, PMEA and tenofovir in HBV patient serum using liquid chromatography-tandem mass spectrometry and application to phase 2 clinical trial. J Chromatogr B Analyt Technol Biomed Life Sci. 2016 Jun 1;1022:133-40. doi: 10.1016/j.jchromb.2016.04.019. Epub 2016 Apr 11. PubMed PMID: 27089519. 2: Xiao Q, Yang W, Wang D, Chen L, Yuan L, Ding Y, Yang J. Factors limiting the extent of absolute bioavailability of pradefovir in rat. Xenobiotica. 2016 Oct;46(10):913-21. doi: 10.3109/00498254.2015.1133866. Epub 2016 Feb 5. PubMed PMID: 26846680. 3: Zhang Y, Shen L, Zhan Y, Xiao QQ, Yang J. Development and Validation of a Sensitive LC-MS-MS Method for the Determination of Adefovir in Human Serum and Urine: Application to a Clinical Pharmacokinetic Study. J Chromatogr Sci. 2016 Apr;54(4):507-15. doi: 10.1093/chromsci/bmv172. Epub 2015 Dec 10. PubMed PMID: 26657410; PubMed Central PMCID: PMC4885381. 4: Hynicka LM, Yunker N, Patel PH. A review of oral antiretroviral therapy for the treatment of chronic hepatitis B. Ann Pharmacother. 2010 Jul-Aug;44(7-8):1271-86. doi: 10.1345/aph.1M590. Epub 2010 Jun 29. Review. PubMed PMID: 20587747. 5: Tillmann HL. The treatment of chronic hepatitis B: Focus on adefovir-like antivirals. Ther Clin Risk Manag. 2008 Aug;4(4):797-802. PubMed PMID: 19209262; PubMed Central PMCID: PMC2621388.