≥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.
PROTAC CDK9 Degrader-1 is a PROTAC connected by ligands for Cereblon and CDK as a selective CDK9 degrader.
In Vitro
PROTAC CDK9 Degrader-1 (Compound 3; 2.5-20 μM; 6 hours) degrades CDK9 in a dose dependent manner in HCT116 cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: HCT116 cells Concentration: 2.5, 5, 10, and 20μM Incubation Time: 6 hours Result: Degraded CDK9 in a dose dependent manner.
Form:Solid
IC50& Target:CDK9
| Canonical Smiles | C1CC(C1)C2=CC(=NN2)NC(=O)CC3=CC=C(C=C3)OCCCCCOC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O |
|---|---|
| IUPAC Name | N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentoxy]phenyl]acetamide |
| InChIKey | WCEHIDWONYOKOJ-UHFFFAOYSA-N |
| INCHI | 1S/C33H35N5O7/c39-28-15-14-25(31(41)35-28)38-32(42)23-8-5-9-26(30(23)33(38)43)45-17-3-1-2-16-44-22-12-10-20(11-13-22)18-29(40)34-27-19-24(36-37-27)21-6-4-7-21/h5,8-13,19,21,25H,1-4,6-7,14-18H2,(H,35,39,41)(H2,34,36,37,40) |
| Isomeric SMILES | C1CC(C1)C2=CC(=NN2)NC(=O)CC3=CC=C(C=C3)OCCCCCOC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O |
| PubChem CID | 132472236 |
| Molecular Weight | 613.7 |
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 | Isoindoles and derivatives |
| Subclass | Isoindolines |
| Intermediate Tree Nodes | Isoindolones |
| Direct Parent | Phthalimides |
| Alternative Parents | Phenylacetamides Alpha amino acids and derivatives Isoindoles Piperidinediones Phenoxy compounds Phenol ethers N-arylamides Delta lactams Alkyl aryl ethers N-substituted carboxylic acid imides Imidolactams Pyrazoles N-unsubstituted carboxylic acid imides Heteroaromatic compounds Dicarboximides Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phthalimide - Phenylacetamide - Alpha-amino acid or derivatives - Isoindole - Phenoxy compound - N-arylamide - Piperidinedione - Phenol ether - Piperidinone - Delta-lactam - Alkyl aryl ether - Imidolactam - Benzenoid - Piperidine - Carboxylic acid imide, n-substituted - Monocyclic benzene moiety - Heteroaromatic compound - Pyrazole - Carboxylic acid imide, n-unsubstituted - Dicarboximide - Carboxylic acid imide - Azole - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides. |
| External Descriptors | Not available |
| Solubility | DMSO : ≥ 104 mg/mL (169.47 mM) |
|---|---|
| Molecular Weight | 613.700 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 13 |
| Exact Mass | 613.254 Da |
| Monoisotopic Mass | 613.254 Da |
| Topological Polar Surface Area | 160.000 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 1110.000 |
| 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 |
