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MZP-54

Alias: MZP-54; MZP 54; MZP54
Cat No.:V3583 Purity: ≥98%
MZP-54 is a novel, potent and selective PROTAC-based degrader ofBRD3/4with aKdof 4 nM for Brd4BD2.
MZP-54
MZP-54 Chemical Structure CAS No.: 2010159-47-2
Product category: PROTACs
This product is for research use only, not for human use. We do not sell to patients.
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Purity & Quality Control Documentation

Purity: ≥98%

Product Description

MZP-54 is a novel, potent and selective PROTAC-based degrader of BRD3/4 with a Kd of 4 nM for Brd4BD2. The design of proteolysis-targeting chimeras (PROTACs) is a powerful small-molecule approach for inducing protein degradation. PROTACs conjugate a target warhead to an E3 ubiquitin ligase ligand via a linker.

Biological Activity I Assay Protocols (From Reference)
ln Vitro
Based on PROTAC technology, MZP-54 is a BRD3/4 selective degrader with a Kd of 4 nM for Brd4BD2. With a Kd of 105 ± 24 nM, MZP-54 binds to the VHL-EloC-EloB protein (VCB). With pEC50 values of 7.08 ± 0.05 for MV4;11 and 6.37 ± 0.03 for HL60 cells, MZP-54 exhibits inhibitory effect against these two cell types. MZP-54 displays elevated amounts of cMyc as well [1].
References

[1]. Impact of Target Warhead and Linkage Vector on Inducing Protein Degradation: Comparison of Bromodomain and Extra-Terminal (BET) Degraders Derived from Triazolodiazepine (JQ1) and Tetrahydroquinoline (I-BET726) BET Inhibitor Scaffolds. J Me.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C55H66CLN7O9S
Molecular Weight
1036.67205190659
Exact Mass
1035.433
CAS #
2010159-47-2
PubChem CID
122551841
Appearance
White to off-white solid powder
LogP
6.6
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
12
Rotatable Bond Count
22
Heavy Atom Count
73
Complexity
1790
Defined Atom Stereocenter Count
5
SMILES
N(C1C=CC(Cl)=CC=1)[C@@H]1C[C@H](C)N(C(=O)C)C2=CC=C(C3C=CC(C(=O)NCCOCCOCCOCC(=O)N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(=O)NCC4C=CC(C5=C(N=CS5)C)=CC=4)=O)=CC=3)C=C12
InChi Key
FYSWLIFIYIVHPI-DDWISSAJSA-N
InChi Code
InChI=1S/C55H66ClN7O9S/c1-34-27-46(60-43-18-16-42(56)17-19-43)45-28-41(15-20-47(45)63(34)36(3)64)38-11-13-40(14-12-38)52(67)57-21-22-70-23-24-71-25-26-72-32-49(66)61-51(55(4,5)6)54(69)62-31-44(65)29-48(62)53(68)58-30-37-7-9-39(10-8-37)50-35(2)59-33-73-50/h7-20,28,33-34,44,46,48,51,60,65H,21-27,29-32H2,1-6H3,(H,57,67)(H,58,68)(H,61,66)/t34-,44+,46+,48-,51+/m0/s1
Chemical Name
(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[4-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Synonyms
MZP-54; MZP 54; MZP54
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
Ethanol : ~50 mg/mL (~48.23 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (2.41 mM) (saturation unknown) in 10% EtOH + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear EtOH stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.

Solubility in Formulation 2: ≥ 2.5 mg/mL (2.41 mM) (saturation unknown) in 10% EtOH + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear EtOH stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.

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Solubility in Formulation 3: ≥ 2.5 mg/mL (2.41 mM) (saturation unknown) in 10% EtOH + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear EtOH stock solution to 900 μL of corn oil and mix evenly.


 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 0.9646 mL 4.8231 mL 9.6463 mL
5 mM 0.1929 mL 0.9646 mL 1.9293 mL
10 mM 0.0965 mL 0.4823 mL 0.9646 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution 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 stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

Biological Data
  • MZP-54


    Chemical Structures of VHL-Targeting PROTACs Based on4and3Used in This Study and Chemical Structure of CRBN-Targeting PROTAC11(ARV-825).

    MZP-54

    Antiproliferative and Myc-suppression activity of BET degraders and inhibitors:

    2018Jan 25;61(2):504-513.

  • MZP-54


    Co-crystal structures to guide PROTAC linking design. First bromodomain of Brd4 with bound (a)3(green carbons, PDB code 3MXF) and (b)4(cyan carbons, PDB code 4BJX). Arrows highlight exit vectors for linking.

    MZP-54

    PROTACs’ SAR correlation plots.

  • MZP-54


    Protein degradation profile of VHL-based BET degraders. HeLa cells were treated for 24 h. Protein levels are shown from one representative of two biological replicates, visualized by immunoblot (a, c) and quantified relative to DMSO control (b, d).

    MZP-54

    Measuring cooperativities of ternary complex formation by ITC: (a) VCB titrated into10alone; (b) VCB titrated into Brd4BD2–10binary complex; (c) VCB titrated into Brd2BD1–10.

    MZP-54

    2018Jan 25;61(2):504-513

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