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| | Methanesulfonamide, N-[4-[(1E)-2-[5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3-(1,1-dimethylethyl)-2-methoxyphenyl]ethenyl]phenyl]-, potassium salt, hydrate (1:1:3) Basic information |
| Product Name: | Methanesulfonamide, N-[4-[(1E)-2-[5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3-(1,1-dimethylethyl)-2-methoxyphenyl]ethenyl]phenyl]-, potassium salt, hydrate (1:1:3) | | Synonyms: | Methanesulfonamide, N-[4-[(1E)-2-[5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3-(1,1-dimethylethyl)-2-methoxyphenyl]ethenyl]phenyl]-, potassium salt, hydrate (1:1:3);ABT-072 potassium trihydrate;(E)-N-(4-(3-(tert-Butyl)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxystyryl)phenyl)methanesulfonamide, potassium salt trihydrate | | CAS: | 1132940-31-8 | | MF: | C24H30KN3O6S | | MW: | 527.68 | | EINECS: | | | Product Categories: | | | Mol File: | 1132940-31-8.mol | ![Methanesulfonamide, N-[4-[(1E)-2-[5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3-(1,1-dimethylethyl)-2-methoxyphenyl]ethenyl]phenyl]-, potassium salt, hydrate (1:1:3) Structure](CAS/20211123/GIF/1132940-31-8.gif) |
| | Methanesulfonamide, N-[4-[(1E)-2-[5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3-(1,1-dimethylethyl)-2-methoxyphenyl]ethenyl]phenyl]-, potassium salt, hydrate (1:1:3) Chemical Properties |
| storage temp. | 4°C, away from moisture and light | | solubility | DMSO : 50 mg/mL (89.02 mM; Need ultrasonic) | | form | Solid | | color | Light yellow to yellow |
| | Methanesulfonamide, N-[4-[(1E)-2-[5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3-(1,1-dimethylethyl)-2-methoxyphenyl]ethenyl]phenyl]-, potassium salt, hydrate (1:1:3) Usage And Synthesis |
| Uses | ABT-072 (potassium trihydrate) is an orally active and potent non-nucleoside HCV NS5B polymerase inhibitor (HCV GT1a EC50=1 nM; HCV GT1b EC50=0.3 nM)[1][2][3]. | | in vivo | ABT-072 (5 and/or 30 mg/kg; i.v. or p.o.) (potassium trihydrate) shows good PK properties[3].
ABT-072 (2.5 and/or 30 mg/kg; i.v. or p.o.) (potassium trihydrate) shows low plasma clearance and high oral bioavailability[3]. | Animal Model: | Rats[3] | | Dosage: | 5 and/or 30 mg/kg (Pharmacokinetic Analysis) | | Administration: | I.v. or p.o. | | Result: | Showed good PK properties.
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| Animal Model: | Dog[3] | | Dosage: | 2.5 or 30 mg/kg (Pharmacokinetic Analysis) | | Administration: | I.v. or p.o. | | Result: | Showed low plasma clearance and high oral bioavailability.
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| | References | [1] Lawitz E, et al. 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;59(1):18-23. DOI:10.1016/j.jhep.2013.02.009 [2] Shi Y, et al. 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;105(9):2886-2895. DOI:10.1016/j.xphs.2016.04.036 [3] Randolph JT, et al. Synthesis and Biological Characterization of Aryl Uracil Inhibitors of Hepatitis C Virus NS5B Polymerase: Discovery of ABT-072, a trans-Stilbene Analog with Good Oral Bioavailability. J Med Chem. 2018;61(3):1153-1163. DOI:10.1021/acs.jmedchem.7b01630 |
| | Methanesulfonamide, N-[4-[(1E)-2-[5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3-(1,1-dimethylethyl)-2-methoxyphenyl]ethenyl]phenyl]-, potassium salt, hydrate (1:1:3) Preparation Products And Raw materials |
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