≥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.
Information
CC-90010 CC-90010 is a reversible, orally active and central nervous system-penetrant inhibitor of bromodomain and extra-terminal (BET) proteins . CC-90010 is applied in the study for advanced solid tumors.
Targets
BET proteins
| ALogP | 2.741 |
|---|---|
| hba_count | 4 |
| Enlace rotable | 5 |
| Pubchem Sid | 504772845 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772845 |
| Sonrisas canónicas | CN1C=C(C2=CC=CC=C2C1=O)C3=C(C=CC(=C3)S(=O)(=O)C)OCC4CC4 |
| IUPAC Name | 4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methylisoquinolin-1-one |
| InChIKey | UWZAJPITKGWMFJ-UHFFFAOYSA-N |
| INCHI | 1S/C21H21NO4S/c1-22-12-19(16-5-3-4-6-17(16)21(22)23)18-11-15(27(2,24)25)9-10-20(18)26-13-14-7-8-14/h3-6,9-12,14H,7-8,13H2,1-2H3 |
| Isómeros SMILES | CN1C=C(C2=CC=CC=C2C1=O)C3=C(C=CC(=C3)S(=O)(=O)C)OCC4CC4 |
| Peso molecular | 383.46 |
| Reaxy-Rn | 28010862 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28010862&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 |
| Clase | Pyridines and derivatives |
| Subclass | Phenylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridines |
| Alternative Parents | Isoquinolones and derivatives Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Pyridinones Alkyl aryl ethers Sulfones Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3-phenylpyridine - Isoquinolone - Isoquinoline - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Pyridinone - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Sulfonyl - Sulfone - Lactam - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 G2216219 | Certificate of Analysis | Apr 07, 2025 | C413031 |
| G2216220 | Certificate of Analysis | Apr 07, 2025 | C413031 |
| G2216234 | Certificate of Analysis | Apr 07, 2025 | C413031 |
| G2216235 | Certificate of Analysis | Apr 07, 2025 | C413031 |
| G2216239 | Certificate of Analysis | Apr 07, 2025 | C413031 |
| Solubilidad | Solubility (25°C) In vitro DMSO: 77 mg/mL (200.8 mM); Water: Insoluble; Ethanol: Insoluble; |
|---|---|
| DMSO (mg/ml) Solubilidad máxima | 77 |
| DMSO (mM) Solubilidad máxima | 200.803212851406 |
| Agua (mg/ml) Solubilidad máxima | ＜1 |
| Peso molecular | 383.500 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 383.119 Da |
| Monoisotopic Mass | 383.119 Da |
| Topological Polar Surface Area | 72.100 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 706.000 |
| 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 |
