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SJ-172550

Alias: SJ172550. MDMX Inhibitor II; SJ 172550; SJ-172550
Cat No.:V14840 Purity: ≥98%
SJ-172550 is a small molecule inhibitor of MDMX; it competitively binds to MDMX with wild-type p53 peptide with EC50 of 5 μM.
SJ-172550
SJ-172550 Chemical Structure CAS No.: 431979-47-4
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
5mg
10mg
50mg
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Product Description
SJ-172550 is a small molecule inhibitor of MDMX; it competitively binds to MDMX with wild-type p53 peptide with EC50 of 5 μM.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
There is a disruption in the p53 pathway in almost all human tumors. SJ-172550 displaces p53 via attaching to the p53 binding pocket of MDMX. MDMX is reversibly bound by SJ-172550, which also efficiently kills retinoblastoma cells that have elevated MDMX expression. When SJ-172550 is used with the MDM2 inhibitor nutlin-3a, the effects are cumulative [1]. SJ-172550 functions by locking MDMX into a conformation that prevents it from binding p53 through the development of a covalent but reversible complex with the chemical. Numerous elements influence this complex's relative stability, such as the medium's capacity for reduction and the existence of aggregates [2].
References

[1]. Identification and characterization of the first small molecule inhibitor of MDMX. J Biol Chem. 2010 Apr 2;285(14):10786-96.

[2]. On the mechanism of action of SJ-172550 in inhibiting the interaction of MDM4 and p53. PLoS One. 2012;7(6):e37518.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C22H21CLN2O5
Molecular Weight
428.869
Exact Mass
428.113
Elemental Analysis
C, 61.61; H, 4.94; Cl, 8.27; N, 6.53; O, 18.65
CAS #
431979-47-4
PubChem CID
2913564
Appearance
Pink to red solid powder
Density
1.3±0.1 g/cm3
Boiling Point
560.8±60.0 °C at 760 mmHg
Flash Point
293.0±32.9 °C
Vapour Pressure
0.0±1.5 mmHg at 25°C
Index of Refraction
1.586
LogP
3.73
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
8
Heavy Atom Count
30
Complexity
689
Defined Atom Stereocenter Count
0
SMILES
ClC1C(=C(C([H])=C(C=1[H])/C(/[H])=C1/C(N(C2C([H])=C([H])C([H])=C([H])C=2[H])N=C/1C([H])([H])[H])=O)OC([H])([H])C([H])([H])[H])OC([H])([H])C(=O)OC([H])([H])[H]
InChi Key
RKKFQJXGAQWHBZ-UHFFFAOYSA-N
InChi Code
InChI=1S/C22H21ClN2O5/c1-4-29-19-12-15(11-18(23)21(19)30-13-20(26)28-3)10-17-14(2)24-25(22(17)27)16-8-6-5-7-9-16/h5-12H,4,13H2,1-3H3
Chemical Name
methyl 2-[2-chloro-6-ethoxy-4-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]acetate
Synonyms
SJ172550. MDMX Inhibitor II; SJ 172550; SJ-172550
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)
DMSO : ~33.33 mg/mL (~77.72 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.83 mM) (saturation unknown) in 10% DMSO + 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 DMSO 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 2.3317 mL 11.6585 mL 23.3171 mL
5 mM 0.4663 mL 2.3317 mL 4.6634 mL
10 mM 0.2332 mL 1.1659 mL 2.3317 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

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

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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?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • 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:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

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:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
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  • The answer appears in the Volume (to add to vial) box
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.

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