≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged 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.
iRucaparib-AP6 is a highly efficient and specific PROTAC PARP1 degrader. iRucaparib-AP6, a non-trapping PARP1 degrader, blocks both the catalytic activity and scaffolding effects of PARP1
In Vitro
iRucaparib-AP6 (0-10 μM; 24 hours) decreases PARP-1 level in a dose dependent manner, exhibits a half-maximal degrading concentration (DC 50 ) of 82 nM (D max = 92%). iRucaparib-AP6 (0-20 μM; 24 hours) induces degradation of PARP1 at low concentrations. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: Primary rat neonatal cardiomyocyte cells Concentration: 0.001 μM; 0.01 μM; 0.1 μM; 1 μM; 10 μM Incubation Time: 24 hours Result: Decreased PARP-1 level in primary rat neonatal cardiomyocyte cells. Western Blot AnalysisCell Line: Primary rat neonatal cardiomyocyte cells Concentration: 0.05 μM; 0.1 μM; 0.2 μM; 0.5 μM; 1 μM; 2 μM; 5 μM;10 μM; 20 μM Incubation Time: 24 hours Result: Induced robust PARP1 degradation at concentrations as low as 50 nM.
Form:Solid
IC50& Target:PARP1 82 nM (DC 50 )
| Canonical Smiles | CN(CCOCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O)CC4=CC=C(C=C4)C5=C6CCNC(=O)C7=C6C(=CC(=C7)F)N5 |
|---|---|
| IUPAC Name | 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[2-[2-[[4-(6-fluoro-9-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione |
| InChIKey | YHMDCINUVWULST-UHFFFAOYSA-N |
| INCHI | 1S/C46H55FN6O11/c1-52(29-30-5-7-31(8-6-30)42-33-11-12-49-43(55)35-27-32(47)28-37(50-42)40(33)35)14-16-60-18-20-62-22-24-64-26-25-63-23-21-61-19-17-59-15-13-48-36-4-2-3-34-41(36)46(58)53(45(34)57)38-9-10-39(54)51-44(38)56/h2-8,27-28,38,48,50H,9-26,29H2,1H3,(H,49,55)(H,51,54,56) |
| Isomeric SMILES | CN(CCOCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O)CC4=CC=C(C=C4)C5=C6CCNC(=O)C7=C6C(=CC(=C7)F)N5 |
| PubChem CID | 138857977 |
| Molecular Weight | 886.96 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2-phenylindoles |
| Alternative Parents | Phthalimides Phenylpyrroles Benzazepines Alpha amino acids and derivatives 3-alkylindoles Isoindoles Piperidinediones Phenylmethylamines Benzylamines Secondary alkylarylamines Delta lactams Azepines Aralkylamines N-substituted carboxylic acid imides Aryl fluorides Vinylogous amides N-unsubstituted carboxylic acid imides Heteroaromatic compounds Dicarboximides Trialkylamines Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-phenylindole - Phthalimide - 2-phenylpyrrole - Benzazepine - 3-alkylindole - Isoindolone - Alpha-amino acid or derivatives - Isoindole or derivatives - Isoindole - Isoindoline - Piperidinedione - Phenylmethylamine - Benzylamine - Aralkylamine - Secondary aliphatic/aromatic amine - Piperidinone - Delta-lactam - Azepine - Benzenoid - Substituted pyrrole - Piperidine - Carboxylic acid imide, n-substituted - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Vinylogous amide - Pyrrole - Carboxylic acid imide, n-unsubstituted - Dicarboximide - Carboxylic acid imide - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Lactam - Carboxamide group - Amino acid or derivatives - Azacycle - Secondary amine - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-phenylindoles. These are indoles substituted at the 2-position with a phenyl group. |
| External Descriptors | Not available |
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| Solubility | DMSO : 50 mg/mL (56.37 mM; Need ultrasonic) |
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