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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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A650104-1mg
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1mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$250.90
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A650104-5mg
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5mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$500.90
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A650104-10mg
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10mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$800.90
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| Synonyms | 1132936-00-5 | SCHEMBL479219 | DC20625 | ABT 072 | AKOS027337126 | Methanesulfonamide, N-(4-((1E)-2-(5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3-(1,1-dimethylethyl)-2-methoxyphenyl)ethenyl)phenyl)- | N-[4-[(E)-2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl) |
|---|---|
| Specifications & Purity | ≥99% |
| Biochemical and Physiological Mechanisms | ABT-072 is an orally active and potent non-nucleoside HCV NS5B polymerase inhibitor (HCV GT1a EC 50 =1 nM; HCV GT1b EC 50 =0.3 nM). |
| Storage Temp | Store at -20°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Action Type | INHIBITOR |
| Mechanism of action | Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor |
| Product Description |
ABT-072 is an orally active and potent non-nucleoside HCV NS5B polymerase inhibitor (HCV GT1a EC 50 =1 nM; HCV GT1b EC 50 =0.3 nM) In Vitro ABT-072 is a non-nucleoside NS5B polymerase inhibitor with nanomolar potency in vitro against genotype 1a and 1b hepatitis C virus polymerases. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo ABT-072 (5 and/or 30 mg/kg; i.v. or p.o.) shows good PK properties. ABT-072 (2.5 and/or 30 mg/kg; i.v. or p.o.) shows low plasma clearance and high oral bioavailability. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: RatsDosage: 5 and/or 30 mg/kg (Pharmacokinetic Analysis) Administration: I.v. or p.o. Result: Showed good PK properties. Animal Model: DogDosage: 2.5 or 30 mg/kg (Pharmacokinetic Analysis) Administration: I.v. or p.o. Result: Showed low plasma clearance and high oral bioavailability. Form:Solid IC50& Target:NS5B polymerase |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Stilbenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Stilbenes |
| Alternative Parents | Sulfanilides Phenylpropanes Methoxyanilines Styrenes Phenoxy compounds Methoxybenzenes Anisoles Pyrimidones Alkyl aryl ethers Organosulfonamides Organic sulfonamides Hydropyrimidines Vinylogous amides Heteroaromatic compounds Aminosulfonyl compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Stilbene - Sulfanilide - Methoxyaniline - Phenylpropane - Phenoxy compound - Methoxybenzene - Styrene - Phenol ether - Anisole - Pyrimidone - Alkyl aryl ether - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid amide - Pyrimidine - Hydropyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Urea - Lactam - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. |
| External Descriptors | Not available |
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| ALogP | 3.6 |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| IUPAC Name | N-[4-[(E)-2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide |
|---|---|
| INCHI | InChI=1S/C24H27N3O5S/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)/b9-6+ |
| InChIKey | XMZSTQYSBYEENY-RMKNXTFCSA-N |
| Smiles | CC(C)(C)C1=CC(=CC(=C1OC)C=CC2=CC=C(C=C2)NS(=O)(=O)C)N3C=CC(=O)NC3=O |
| Isomeric SMILES | CC(C)(C)C1=CC(=CC(=C1OC)/C=C/C2=CC=C(C=C2)NS(=O)(=O)C)N3C=CC(=O)NC3=O |
| Alternate CAS | 1132936-00-5,1214735-11-1 |
| PubChem CID | 57775240 |
| MeSH Entry Terms | ABT-072 |
| Molecular Weight | 469.55 |
| Solubility | DMSO : 80 mg/mL (170.38 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 469.600 g/mol |
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 469.167 Da |
| Monoisotopic Mass | 469.167 Da |
| Topological Polar Surface Area | 113.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 879.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |