≥99% 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.
ABC99 is an N-hydroxyhydantoin (NHH) carbamate that selectively inhibits the Wnt-deacylating enzyme NOTUM ( IC 50 =13 nM). ABC99 preserves Wnt3A signaling in the presence of NOTUM
In Vitro
ABC99 (0.1~10 μΜ; 2 hours; SW620 cells) inhibits NOTUM in a concentration-dependent manner. ABC99 preserves Wnt-3A activity in the presence of NOTUM in a concentration-dependent manner. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: SW620 cells Concentration: 0.1~10 μΜ Incubation Time: 2 hours Result: Inhibited NOTUM in a concentration-dependent manner.
Form:Solid
IC50& Target:IC50: 13 nM (Notum)
| Canonical Smiles | C1CN2C(CN1CC3=CC=C(C=C3)Cl)C(=O)N(C2=O)OC(=O)N4CCOC5=CC=CC=C54 |
|---|---|
| IUPAC Name | [7-[(4-chlorophenyl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] 2,3-dihydro-1,4-benzoxazine-4-carboxylate |
| InChIKey | OZPZCETZTBBQBO-UHFFFAOYSA-N |
| INCHI | 1S/C22H21ClN4O5/c23-16-7-5-15(6-8-16)13-24-9-10-25-18(14-24)20(28)27(21(25)29)32-22(30)26-11-12-31-19-4-2-1-3-17(19)26/h1-8,18H,9-14H2 |
| Isomeric SMILES | C1CN2C(CN1CC3=CC=C(C=C3)Cl)C(=O)N(C2=O)OC(=O)N4CCOC5=CC=CC=C54 |
| PubChem CID | 134817170 |
| Molecular Weight | 456.88 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azolidines |
| Subclass | Imidazolidines |
| Intermediate Tree Nodes | Imidazolidinones - Imidazolidinediones |
| Direct Parent | Hydantoins |
| Alternative Parents | Benzoxazines Benzomorpholines Alpha amino acids and derivatives Imidazopyrazines Phenylmethylamines Benzylamines N-alkylpiperazines Chlorobenzenes Aralkylamines Alkyl aryl ethers Aryl chlorides Dicarboximides Trialkylamines Organic carbonic acids and derivatives Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Hydantoin - Benzoxazine - Benzomorpholine - Alpha-amino acid or derivatives - Imidazopyrazine - Phenylmethylamine - Benzylamine - Aralkylamine - N-alkylpiperazine - Halobenzene - Chlorobenzene - Alkyl aryl ether - Benzenoid - Piperazine - Oxazinane - 1,4-diazinane - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Dicarboximide - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Amino acid or derivatives - Oxacycle - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Solubility | DMSO : 25 mg/mL (54.72 mM; ultrasonic and heat to 80°C) |
|---|---|
| Molecular Weight | 456.900 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 456.12 Da |
| Monoisotopic Mass | 456.12 Da |
| Topological Polar Surface Area | 82.600 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 746.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
