for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
ABC1183 is an orally active selective dual GSK3 and CDK9 inhibitor. ABC1183 inhibits GSK3β, GSK3α and CDK9/cyclin T1 with the IC 50 values of 657 nM, 327 nM and 321 nM, respectively. ABC1183 has anti-inflammatory and anti-tumor activities
In Vitro
ABC1183 (3 μM, 24 h) can block cell cycle progression and thus affect cell proliferation. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Cycle AnalysisCell Line: LNCaP human prostate cancer cells Concentration: 3 μM Incubation Time: 24 hours Result: Significantly reduced cells in the G1 and S phases and increased cells in the G2/M and sub-G1 cycle phases.
In Vivo
ABC1183 (oral gavage, 5 or 50 mg/kg) inhibits tumor proliferation through negative regulation of cell growth and pro-inflammatory signalling in male C57BL/6 mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male C57BL/6 mice with melanoma B16 Dosage: 5 mg/kg Administration: Oral gavage; 5 times per week; 22 days Result: Reduced tumor size and no observed toxicity. Decreased the expression levels of GSK3 α /β, pSer21/9 and GS pSer641 but no change of total GS expression. Animal Model: Male C57BL/6 mice infected crohn’s disease Dosage: 50 mg/kg Administration: Oral gavage; everyday; 3 days Result: Reduced TNF-α by 65%, IL-6 by 30% and IL-1β by 45%. Animal Model: Male C57BL/6 mice with ulcerative colitis Dosage: 50 mg/kg Administration: Oral gavage; once daily; 6 days Result: Increased the expression of the anti-inflammatory factor IL-10, while decreasing the pro-inflammatory factor IL-6.
Form:Solid
IC50& Target:CDK9- Cyclin T1 321 nM (IC 50 ) GSK-3α 327 nM (IC 50 ) GSK-3β 657 nM (IC 50 )
| Canonical Smiles | CC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=C(C=C3)C#N)N |
|---|---|
| IUPAC Name | 4-[4-amino-2-(4-methylanilino)-1,3-thiazole-5-carbonyl]benzonitrile |
| InChIKey | CUDLEXBIVZPJBU-UHFFFAOYSA-N |
| INCHI | 1S/C18H14N4OS/c1-11-2-8-14(9-3-11)21-18-22-17(20)16(24-18)15(23)13-6-4-12(10-19)5-7-13/h2-9H,20H2,1H3,(H,21,22) |
| Isomeric SMILES | CC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=C(C=C3)C#N)N |
| Alternate CAS | 1042735-18-1 |
| PubChem CID | 134500787 |
| Molecular Weight | 334.39 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Aryl-phenylketones |
| Alternative Parents | Benzoyl derivatives Benzonitriles 2,4,5-trisubstituted thiazoles Imidolactams Alpha-branched alpha,beta-unsaturated ketones Vinylogous amides Heteroaromatic compounds Enones Acryloyl compounds Sulfenyl compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Nitriles Carboximidamides Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl-phenylketone - Benzoyl - Benzonitrile - 2,4,5-trisubstituted 1,3-thiazole - Imidolactam - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated ketone - Thiazole - Enone - Azole - Acryloyl-group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Secondary amine - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group. |
| External Descriptors | Not available |
| Solubility | DMSO : 125 mg/mL (373.82 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 334.400 g/mol |
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 334.089 Da |
| Monoisotopic Mass | 334.089 Da |
| Topological Polar Surface Area | 120.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 488.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
