MedKoo Cat#: 125888 | Name: ABT-072 potassium trihydrate

Description:

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

ABT-072 is a HCV NS5B polymerase inhibitor potentially for the treatment of HCV infection.

Chemical Structure

ABT-072 potassium trihydrate
ABT-072 potassium trihydrate
CAS#1132940-31-8 (potassium trihydrate)

Theoretical Analysis

MedKoo Cat#: 125888

Name: ABT-072 potassium trihydrate

CAS#: 1132940-31-8 (potassium trihydrate)

Chemical Formula: C24H32KN3O8S

Exact Mass: 561.1547

Molecular Weight: 561.69

Elemental Analysis: C, 51.32; H, 5.74; K, 6.96; N, 7.48; O, 22.79; S, 5.71

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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Synonym
ABT-072 potassium trihydrate; ABT-072; ABT 072; ABT072;
IUPAC/Chemical Name
potassium (E)-3-(3-(tert-butyl)-4-methoxy-5-(4-(methylsulfonamido)styryl)phenyl)-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-ide trihydrate
InChi Key
LKNQKKMZUBGVOU-MPMAQEBPSA-M
InChi Code
InChI=1S/C24H27N3O5S.K.3H2O/c1-24(2,3)20-15-19(27-13-12-21(28)25-23(27)29)14-17(22(20)32-4)9-6-16-7-10-18(11-8-16)26-33(5,30)31;;;;/h6-15,26H,1-5H3,(H,25,28,29);;3*1H2/q;+1;;;/p-1/b9-6+;;;;
SMILES Code
O.O.O.[K+].COC1=C(C=C(C=C1\C=C\C2=CC=C(NS(C)(=O)=O)C=C2)N3C=CC(=O)[N-]C3=O)C(C)(C)C
Appearance
To be determined
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 561.69 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: Shi Y, Erickson B, Jayasankar A, Lu L, Marsh K, Menon R, Gao P. Assessing Supersaturation and Its Impact on In Vivo Bioavailability of a Low-Solubility Compound ABT-072 With a Dual pH, Two-Phase Dissolution Method. J Pharm Sci. 2016 Sep;105(9):2886-95. doi: 10.1016/j.xphs.2016.04.036. PubMed PMID: 27321234. 2: Sarrazin C, Wedemeyer H, Cloherty G, Cohen DE, Chevaliez S, Herman C, Bernstein B, Pawlotsky JM. Importance of very early HCV RNA kinetics for prediction of treatment outcome of highly effective all oral direct acting antiviral combination therapy. J Virol Methods. 2015 Mar;214:29-32. doi: 10.1016/j.jviromet.2014.11.027. PubMed PMID: 25528998. 3: Cloherty G, Cohen D, Sarrazin C, Wedemeyer H, Chevaliez S, Herman C, Bernstein B, Pawlotsky JM. HCV RNA assay sensitivity impacts the management of patients treated with direct-acting antivirals. Antivir Ther. 2015;20(2):177-83. doi: 10.3851/IMP2810. PubMed PMID: 24941124. 4: De Clercq E. Current race in the development of DAAs (direct-acting antivirals) against HCV. Biochem Pharmacol. 2014 Jun 15;89(4):441-52. doi: 10.1016/j.bcp.2014.04.005. PubMed PMID: 24735613. 5: Lawitz E, Poordad F, Kowdley KV, Cohen DE, Podsadecki T, Siggelkow S, Larsen L, Menon R, Koev G, Tripathi R, Pilot-Matias T, Bernstein B. A phase 2a trial of 12-week interferon-free therapy with two direct-acting antivirals (ABT-450/r, ABT-072) and ribavirin in IL28B C/C patients with chronic hepatitis C genotype 1. J Hepatol. 2013 Jul;59(1):18-23. doi: 10.1016/j.jhep.2013.02.009. PubMed PMID: 23439262. 6: Stedman CA. Current prospects for interferon-free treatment of hepatitis C in 2012. J Gastroenterol Hepatol. 2013 Jan;28(1):38-45. doi: 10.1111/jgh.12028. Review. PubMed PMID: 23137126.