QCA570 - ≥99% , CAS No.2207569-08-0

CAS: 2207569-08-0 Cat. No.: Q650136 Formula: C₃₉H₃₃N₇O₄S Molecular Weight: 695.79 PubChem CID: 134348221

GRADE & PURITY ≥99%

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Application

PROTAC

Overview

QCA570 is a PROTAC connected by ligands for Cereblon and BET , with an IC 50 of 10 nM for BRD4 BD1 Protein.

In Vitro

QCA570 is an extremely potent and highly efficacious BET degrader, capable of degrading BET proteins at low picomolar (pM) concentrations in leukemia cells. QCA570 inhibits cell growth in MV4;11, MOLM-13, and RS4;11 cell lines with IC 50 values of 8.3, 62, and 32 pM, respectively. QCA570 is the most potent and efficacious BET degrader reported to date. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:BRD4 BD1 10 nM (IC 50 )

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

QCA570 is a PROTAC connected by ligands for Cereblon and BET , with an IC 50 of 10 nM for BRD4 BD1 Protein.

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

Canonical Smiles

CC1=NN=C2N1C3=C(COC2)C(=C(S3)C#CC4=CN(N=C4)CCCC#CC5=C6CN(C(=O)C6=CC=C5)C7CCC(=O)NC7=O)CC8=CC=CC=C8

IUPAC Name

3-[7-[5-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]pent-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

InChIKey

RTVTYLRQKKDYMQ-UHFFFAOYSA-N

INCHI

1S/C39H33N7O4S/c1-25-42-43-35-24-50-23-32-30(19-26-9-4-2-5-10-26)34(51-39(32)46(25)35)16-14-27-20-40-44(21-27)18-7-3-6-11-28-12-8-13-29-31(28)22-45(38(29)49)33-15-17-36(47)41-37(33)48/h2,4-5,8-10,12-13,20-21,33H,3,7,15,17-19,22-24H2,1H3,(H,41,47,48)

PubChem CID

134348221

Molecular Weight

695.79

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Isoindoles and derivatives
      • Subclass Isoindolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoindolones
• Alternative Parents: Alpha amino acids and derivatives Isoindoles Piperidinediones Delta lactams Benzene and substituted derivatives Triazoles Thiophenes Tertiary carboxylic acid amides Pyrazoles N-unsubstituted carboxylic acid imides Heteroaromatic compounds Dicarboximides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoindolone - Alpha-amino acid or derivatives - Isoindole - Piperidinedione - Piperidinone - Delta-lactam - Benzenoid - Piperidine - Monocyclic benzene moiety - Heteroaromatic compound - 1,2,4-triazole - Thiophene - Tertiary carboxylic acid amide - Pyrazole - Carboxylic acid imide, n-unsubstituted - Dicarboximide - Carboxylic acid imide - Azole - Lactam - Carboxamide group - Oxacycle - Azacycle - Ether - Dialkyl 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 isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
• 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

Chemical and Physical Properties

• Solubility: DMSO : 40 mg/mL (57.49 mM; Need ultrasonic)

Frequently Asked Questions

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, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 2207569-08-0, the molecular formula is C39H33N7O4S, and the molecular weight is 695.79 g/mol. InChIKey RTVTYLRQKKDYMQ-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.