| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
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| Targets |
NS5B Polymerase[1]
|
|---|---|
| ln Vitro |
ABT-072, also known as potassium trihydrate, is a non-nucleoside NS5B polymerase inhibitor that exhibits nanomolar activity in vitro against hepatitis C virus polymerases of genotypes 1a and 1b[1].
|
| ln Vivo |
ABT-072 (5 and/or 30 mg/kg; iv or po) (potassium trihydrate) possesses strong PK properties[3]. Potassium trihydrate ABT-072 (2.5 and/or 30 mg/kg; iv or po) has significant oral bioavailability and minimal plasma clearance[3]
|
| Animal Protocol |
Animal/Disease Models: Rats[3]
Doses: 5 and/or 30 mg/kg (pharmacokinetic/PK Analysis) Route of Administration: Iv or po Experimental Results: demonstrated good PK properties. Animal/Disease Models: Dog[3] Doses: 2.5 or 30 mg/kg (pharmacokinetic/PK Analysis) Route of Administration: Iv or po Experimental Results: demonstrated low plasma clearance and high oral bioavailability. |
| References |
|
| Molecular Formula |
C24H32KN3O8S
|
|---|---|
| Molecular Weight |
561.689486503601
|
| Exact Mass |
561.154
|
| CAS # |
1132940-31-8
|
| Related CAS # |
ABT-072;1132936-00-5
|
| PubChem CID |
131634766
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| Appearance |
Light yellow to yellow solid powder
|
| Hydrogen Bond Donor Count |
4
|
| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
7
|
| Heavy Atom Count |
37
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| Complexity |
885
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
[K+].S(C)(NC1C=CC(=CC=1)/C=C/C1=CC(=CC(=C1OC)C(C)(C)C)N1C=CC([N-]C1=O)=O)(=O)=O.O.O.O
|
| 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+;;;;
|
| Chemical Name |
potassium;N-[4-[(E)-2-[3-tert-butyl-5-(2,4-dioxopyrimidin-3-id-1-yl)-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide;trihydrate
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO : 50 mg/mL (89.02 mM)
H2O : < 0.1 mg/mL |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (8.90 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 50.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 5 mg/mL (8.90 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 50.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.7803 mL | 8.9017 mL | 17.8034 mL | |
| 5 mM | 0.3561 mL | 1.7803 mL | 3.5607 mL | |
| 10 mM | 0.1780 mL | 0.8902 mL | 1.7803 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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