iRucaparib-AP6 - ≥99% , CAS No.2410557-00-3

CAS: 2410557-00-3 Cat. No.: I650808 Fórmula: C₄₆H₅₅FN₆O₁₁ Peso molecular: 886.96 PubChem CID: 138857977

GRADE & PURITY ≥99%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Application

PROTAC

Descripción general

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 )

Specifications

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

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.

Condiciones de almacenamiento de almacenamiento

Store at -20°C,Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

Sonrisas canónicas

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)

Isómeros 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

Peso molecular

886.96

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

CAPAN-1 (772 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MDA-MB-436 (532 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PARP1 Tclin Cereblon/PARP1 (186 Activities)

Discover Target: PARP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 50 mg/mL (56.37 mM; Need ultrasonic)

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2410557-00-3, the molecular formula is C46H55FN6O11, and the molecular weight is 886.96 g/mol. InChIKey YHMDCINUVWULST-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.