≥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.
I-BET282 is a pan-inhibitor of all eight BET bromodomains , and selectivity over other representative bromodomain-containing proteins. I-BET282 shows pIC 50 s ranging 6.4-7.7 for BRD2 (BD1/BD2), BRD2 (BD1/BD), BRD3 (BD1/BD), and BRD4 (BD1/BD).
In Vitro
I-BET282 has a weak inhibition of the hERG potassium ion channel (pIC 50 4.4-5.1 in a variety of assay formats). I-BET282 shows a low potential to inhibit CYP proteins in vitro, with no evidence of time-dependent inhibition of 2D6 or 3A4. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
I-BET282 (Male CD1 Mice; 3 mg/kg-p.o.; 1 mg/kg-i.v.) treatment shows the Cl b , LBF, Vss, t 1/2 (i.v.), and F values of 23 mL/min/kg, 19%, 1.9 L/kg, and 51%, respectively. I-BET282 (Male Wistar Han Rats; 1 mg/kg; p.o.) treatment shows the AUC 0-t , C max and T max values of 467 ng h/mL, 125 ng/mL, and 1 hour, respectively . MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
| Canonical Smiles | CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)N=CC4=C3N(C(=N4)C5CCOCC5)C(C)COC)OC |
|---|---|
| IUPAC Name | 4-[8-methoxy-1-[(2R)-1-methoxypropan-2-yl]-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole |
| InChIKey | HYPXHDJBILNWLI-CQSZACIVSA-N |
| INCHI | 1S/C25H30N4O4/c1-14(13-30-4)29-24-18-11-22(31-5)19(23-15(2)28-33-16(23)3)10-20(18)26-12-21(24)27-25(29)17-6-8-32-9-7-17/h10-12,14,17H,6-9,13H2,1-5H3/t14-/m1/s1 |
| Isomeric SMILES | CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)N=CC4=C3N(C(=N4)C5CCOCC5)[C@H](C)COC)OC |
| PubChem CID | 71258968 |
| Molecular Weight | 450.53 |
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 | Quinolines and derivatives |
| Subclass | Imidazoquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Imidazoquinolines |
| Alternative Parents | Imidazo-[4,5-c]pyridines Anisoles Alkyl aryl ethers Pyridines and derivatives Oxanes N-substituted imidazoles Isoxazoles Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Imidazoquinoline - Imidazopyridine - Imidazo-[4,5-c]pyridine - Anisole - Phenol ether - Alkyl aryl ether - N-substituted imidazole - Oxane - Benzenoid - Pyridine - Azole - Imidazole - Isoxazole - Heteroaromatic compound - Ether - Dialkyl ether - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as imidazoquinolines. These are aromatic heterocyclic compounds containing an imidazole ring fused to a quinoline ring system. In some configurations, the imidazole ring shares a nitrogen atom with the quinoline moiety. |
| External Descriptors | Not available |
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| Solubility | DMSO : 100 mg/mL (221.96 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 450.500 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 450.227 Da |
| Monoisotopic Mass | 450.227 Da |
| Topological Polar Surface Area | 84.400 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 650.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
