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MedKoo Cat#: 555505 | Name: Adafosbuvir hydrate

Description:

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

AL-335 is a potent inhibitor of hepatitis C virus (HCV) NS5B polymerase with IE50 values as low as 70 nM. AL-335 is potentially useful for the Treatment of Hepatitis C Infection. AL-335 demonstrated high levels of the nucleoside triphosphate in vitro in primary human hepatocytes and Huh-7 cells as well as in dog liver following a single oral dose. AL-335 was selected for the clinical development where it showed promising results in phase 1 and 2 trials.

Chemical Structure

Adafosbuvir hydrate
CAS#1613589-09-5

Theoretical Analysis

MedKoo Cat#: 555505

Name: Adafosbuvir hydrate

CAS#: 1613589-09-5

Chemical Formula: C22H29FN3O10P

Exact Mass: 545.1575

Molecular Weight: 545.46

Elemental Analysis: C, 48.44; H, 5.36; F, 3.48; N, 7.70; O, 29.33; P, 5.68

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 #
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Synonym
Adafosbuvir; AL-335; AL 335; AL335; JNJ-335; JNJ 335; JNJ335; uprifosbuvir
IUPAC/Chemical Name
isopropyl ((((2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-fluoro-3,4-dihydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)-L-alaninate
InChi Key
NIJYGVDQZBBONK-UBOQJGLCSA-N
InChi Code
InChI=1S/C22H29FN3O10P/c1-13(2)34-17(28)14(3)25-37(32,36-15-8-6-5-7-9-15)33-12-22(23)18(29)21(4,31)19(35-22)26-11-10-16(27)24-20(26)30/h5-11,13-14,18-19,29,31H,12H2,1-4H3,(H,25,32)(H,24,27,30)/t14-,18-,19+,21+,22+,37?/m0/s1
SMILES Code
O[C@@H]1[C@@](F)(COP(N[C@H](C(OC(C)C)=O)C)(OC2=CC=CC=C2)=O)O[C@@H](N3C=CC(NC3=O)=O)[C@@]1(O)C
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
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 545.46 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
Synthesis and Anti-HCV Activities of 4′-Fluoro-2′-Substituted Uridine Triphosphates and Nucleotide Prodrugs: Discovery of 4′-Fluoro-2′-C-methyluridine 5′-Phosphoramidate Prodrug (AL-335) for the Treatment of Hepatitis C Infection Guangyi Wang, Natalia Dyatkina, Marija Prhavc, Caroline Williams, Vladimir Serebryany, Yujian Hu, Yongfei Huang, Jinqiao Wan, Xiangyang Wu, Jerome Deval, Amy Fung, Zhinan Jin, Hua Tan, Kenneth Shaw, Hyunsoon Kang, Qingling Zhang, Yuen Tam, Antitsa Stoycheva, Andreas Jekle, David B. Smith, and Leonid Beigelman Publication Date (Web): April 5, 2019 (Article) DOI: 10.1021/acs.jmedchem.9b00143