≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
AT-130, a phenylpropenamide derivative, is a potent hepatitis B virus (HBV) replication non-nucleoside inhibitor. AT-130 inhibits the viral DNA synthesis with an EC 50 of 0.13 μM. AT-130 inhibits both wt and mutant HBVs. AT-130 has anti-HBV activity in hepatoma cells .
In Vitro
AT-130 inhibits Wt HBV (IC 50 =2.4 μM), rtL180M HBV (IC 50 =9.8 μM), rtM204I HBV (IC 50 =35.6 μM). AT-130 (0.1, 1, 5, 10, 100 μM; for 7 days) causes dose-dependent inhibition of wt HBV replication in HepG2 cells transduced with HBV baculovirus. AT-130 at a concentration of 2.5 μM, reduces encapsidated HBV DNA by 50% (IC 50 ) and at 18.5 μM by 90% (IC 90 ). AT-130 has no toxic to either HepG2 or Huh-7 cells at concentrations of up to 250 μM. AT-130 (0.005, 0.05, 0.5, 5, 50 μM) does not inhibit HBV DNA synthesis by blocking the HBV endogenous DNA polymerase reaction directly in Huh 7 or HepG2 cells. AT-130 inhibits HBV DNA replication in hepatoma cells but has no effect on viral DNA polymerase activity or core protein translation. AT-130 (2.5, 18.5 μM) has no effect on total HBV RNA production but does reduce encapsidated RNA. AT-130 does not affect core protein or nucleocapsid production and the activity of the protein expression vector. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
| Sonrisas canónicas | COC1=CC=CC=C1C(=C(C(=O)N2CCCCC2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br |
|---|---|
| IUPAC Name | N-[(E)-1-bromo-1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-4-nitrobenzamide |
| InChIKey | OQIUTYABZMBBME-FMQUCBEESA-N |
| INCHI | 1S/C22H22BrN3O5/c1-31-18-8-4-3-7-17(18)19(23)20(22(28)25-13-5-2-6-14-25)24-21(27)15-9-11-16(12-10-15)26(29)30/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,24,27)/b20-19+ |
| Isómeros SMILES | COC1=CC=CC=C1/C(=C(/C(=O)N2CCCCC2)\NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])/Br |
| PubChem CID | 3002812 |
| Términos de entrada MeSH | AT 130;AT-130;AT130 cpd |
| Peso molecular | 488.33 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Benzamides |
| Direct Parent | Hippuric acids and derivatives |
| Alternative Parents | N-acyl-alpha amino acids and derivatives Coumaric acids and derivatives Alpha amino acid amides N-acylpiperidines Nitrobenzenes Methoxybenzenes Nitroaromatic compounds Benzoyl derivatives Anisoles Phenoxy compounds Alkyl aryl ethers Vinylogous halides Tertiary carboxylic acid amides Secondary carboxylic acid amides Organic oxoazanium compounds Bromoalkenes Azacyclic compounds Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides Organonitrogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Coumaric acid or derivatives - Cinnamic acid or derivatives - Alpha-amino acid or derivatives - Nitrobenzene - N-acyl-piperidine - Phenol ether - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Alkyl aryl ether - Piperidine - Tertiary carboxylic acid amide - Vinylogous halide - Secondary carboxylic acid amide - Organic nitro compound - Carboxamide group - C-nitro compound - Azacycle - Bromoalkene - Carboxylic acid derivative - Haloalkene - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Vinyl halide - Vinyl bromide - Organic salt - Carbonyl group - Organic oxygen compound - Organic oxide - Organic zwitterion - Organohalogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine. |
| External Descriptors | Not available |
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| Solubilidad | DMSO : 25 mg/mL (51.19 mM; Need ultrasonic) |
|---|---|
| Peso molecular | 488.300 g/mol |
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 487.074 Da |
| Monoisotopic Mass | 487.074 Da |
| Topological Polar Surface Area | 104.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 694.000 |
| 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 |
