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XYD049 Molecular Glues ligand

Name: XYD049
Brand: Selleck Chemicals
SKU: E5854
Availability: InStock
Rating: 5 (1 reviews)

Cat.No.E5854

XYD049 (compound 7d) is a CRBN-based molecular glue targeting GSPT1 (DC50=19 nM), applicable for studying MYC-driven castration-resistant prostate cancer (CRPC). It demonstrates potent growth inhibition of 22Rv1 cells (IC50=7 nM) and exhibits in vivo antitumor activity. This compound downregulates CRPC-associated oncogenes (AR, AR-v7, PSA, c-Myc) in 22Rv1 cells. Structurally, it consists of: 1) a molecular glue linker (NH2-C5-NH-Boc), 2) a CRBN-recruiting E3 ligase ligand (Thalidomide 4-fluoride), and 3) a GSPT1-targeting moiety (GSPT1 ligand-1). The E3 ligase ligand-linker combination forms conjugate 158.

Chemical Structure

Molecular Weight: 811.66

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Quality Control

Batch: E585401 DMSO]100 mg/mL]false]Water]Insoluble]false]Ethanol]Insoluble]false Purity: 99.86%

Cited in Nature Medicine for its top-tier quality
COA
NMR
HPLC
SDS
Datasheet

99.86

Related Targets	PROTAC Others Dyes Antineoplastic and Immunosuppressive Antibiotics ADC Cytotoxin Selection Antibiotics for Transfected Cell Antibiotics for Mammalian Cell Culture ADC Linker Hydrotropic Agents Antibiotics for Plant Cell Culture
Other Molecular Glues Inhibitors	VAV1 degrader-3 dCeMM1

Solubility

In vitro
Batch:

DMSO : 100 mg/mL (123.2 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Water : Insoluble

Ethanol : Insoluble

Molarity Calculator

Mass	Concentration	Volume	Molecular Weight
Mass value Mass unit	Concentration value Concentration unit	Volume value Volume unit	Molecular weight (g/mol)

Dilution Calculator Molecular Weight Calculator

In vivo batch selection In vivo Batch:
Clear solution	5%DMSO 1 40%PEG300 2 5%Tween80 3 50%ddH2O Validated by Selleck labs. Should you need adjustments to this formulation, contact our sales team for custom testing.	5mg/ml (6.16mM)	Taking the 1 mL working solution as an example, add 50 μL of 100 mg/ml clarified DMSO stock solution to 400 μL of PEG300, mix evenly to clarify it; add 50 μL of Tween80 to the above system, mix evenly to clarify; then continue to add 500 μL of ddH2O to adjust the volume to 1 mL. The mixed solution should be used immediately for optimal results.

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal making an allowance for loss during the experiment)

Dosage: mg/kg

Average weight of animals: g

Dosing volume per animal: μL

Number of animals:

Step 2: Enter the in vivo formulation (This is only the calculator, not formulation. Please contact us first if there is no in vivo formulation at the solubility Section.)

% DMSO

% Tween 80

% ddH₂O

% DMSO

Calculation results:

Working concentration: mg/ml;

Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO ( Master liquid concentration mg/mL, Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug. )

Method for preparing in vivo formulation: Take μL DMSO master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

Note: 1. Please make sure the liquid is clear before adding the next solvent.
2. Be sure to add the solvent(s) in order. You must ensure that the solution obtained, in the previous addition, is a clear solution before proceeding to add the next solvent. Physical methods such
as vortex, ultrasound or hot water bath can be used to aid dissolving.

Chemical Information, Storage & Stability

Molecular Weight	811.66	Formula	C35H35BrN6O10S	Storage (From the date of receipt)	3 years-20°Cpowder
CAS No.	3006788-11-7	Download SDF		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent

Mechanism of Action

References	[1] https://pubmed.ncbi.nlm.nih.gov/39746330/

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Handling Instructions

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