≥98%(HPLC) 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.
Interleukin-2-inducible T-cell kinase (ITK) inhibitor (IC50 values are 0.1, 0.4 and 5 μM for ITK, BTK and ETK, respectively). Inhibits growth of cancer cells expressing ITK, including MOLT-4 and Jurkat cells in vitro. Induces apoptosis in Jurkat cells. Inhibits MOLT-4 xenograft tumor growth in mice.
Application：
CTA 056 is an ITK (IL-2 induced T cell kinase) inhibitor with an IC50 of 0.1 μM. CTA 056 selectively targets malignant T cells and regulates tumor cells. CTA 056 induces apoptosis and is a potential therapeutic agent for the treatment of T-cell leukemia and lymphoma.
| Canonical Smiles | C1CCN(CC1)CCCN2C3=C(C=C4C(=C3)N=C(C(=O)N4)CC5=CC=CC=C5)N=C2C6=CC=C(C=C6)C7=CC=NC=C7 |
|---|---|
| IUPAC Name | 7-benzyl-1-(3-piperidin-1-ylpropyl)-2-(4-pyridin-4-ylphenyl)-5H-imidazo[4,5-g]quinoxalin-6-one |
| InChIKey | BSSBAJKNZOHHCA-UHFFFAOYSA-N |
| INCHI | 1S/C35H34N6O/c42-35-32(22-25-8-3-1-4-9-25)37-30-24-33-31(23-29(30)39-35)38-34(41(33)21-7-20-40-18-5-2-6-19-40)28-12-10-26(11-13-28)27-14-16-36-17-15-27/h1,3-4,8-17,23-24H,2,5-7,18-22H2,(H,39,42) |
| Isomeric SMILES | C1CCN(CC1)CCCN2C3=C(C=C4C(=C3)N=C(C(=O)N4)CC5=CC=CC=C5)N=C2C6=CC=C(C=C6)C7=CC=NC=C7 |
| Molecular Weight | 554.68 |
| Reaxy-Rn | 23240399 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23240399&ln= |
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 | Benzimidazoles |
| Subclass | Phenylbenzimidazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylbenzimidazoles |
| Alternative Parents | Phenylpyridines Phenylimidazoles Quinoxalines Pyrazines Piperidines N-substituted imidazoles Benzene and substituted derivatives Heteroaromatic compounds Trialkylamines Lactams Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylbenzimidazole - 4-phenylpyridine - 2-phenylimidazole - Quinoxaline - Monocyclic benzene moiety - N-substituted imidazole - Piperidine - Pyrazine - Pyridine - Benzenoid - Imidazole - Azole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Lactam - Azacycle - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2412165 | Certificate of Analysis | Mar 28, 2024 | C288366 |
| G2412168 | Certificate of Analysis | Mar 28, 2024 | C288366 |
| G2412169 | Certificate of Analysis | Mar 28, 2024 | C288366 |
| G2412170 | Certificate of Analysis | Mar 28, 2024 | C288366 |
| G2412179 | Certificate of Analysis | Mar 28, 2024 | C288366 |
| G2412180 | Certificate of Analysis | Mar 28, 2024 | C288366 |
| G2412181 | Certificate of Analysis | Mar 28, 2024 | C288366 |
| G2412182 | Certificate of Analysis | Mar 28, 2024 | C288366 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 5.55, Max Conc. mM: 10 with gentle warming |
|---|---|
| Molecular Weight | 554.700 g/mol |
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 554.279 Da |
| Monoisotopic Mass | 554.279 Da |
| Topological Polar Surface Area | 75.400 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 914.000 |
| 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 |
