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TEAD1/3/4-IN-1

Cat No.:V145712 Purity: ≥98%
TEAD1/3/4-IN-1 is an orally effective TEAD1/3/4 inhibitor.
TEAD1/3/4-IN-1
TEAD1/3/4-IN-1 Chemical Structure CAS No.: 2762619-63-4
Product category: YAP
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
5mg
10mg
50mg
100mg
Other Sizes
Official Supplier of:
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Product Description
TEAD1/3/4-IN-1 is an orally effective inhibitor of TEAD1/3/4. TEAD1/3/4-IN-1 inhibits the YAP/TAZ-TEAD interaction, with an EC50 of 2 nM. TEAD1/3/4-IN-1 exhibits antiproliferative activity against NCI-H226 cells. TEAD1/3/4-IN-1 may be used in research on lung squamous cell carcinoma.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
TEAD1/3/4-IN-1 (compound 1) (0-20 μM, 6 days) inhibited the proliferation of NCI-H226 cells with an IC50 of 7 nM[1].
ln Vivo
TEAD1/3/4-IN-1 (compound 1) (10-50 mg/kg, orally, once daily for 45 days) showed significant anticancer activity in a mouse model of squamous cell carcinoma of the lung [1].
Animal Protocol
Animal/Disease Models:NCI-H226 lung squamous cell carcinoma xenograft model established in female BALB/c nude mice (6-7 weeks old) [1]
Doses: 10 and 50 mg/kg
Route of Administration: Oral (po), once daily for 45 days
Experimental Results: Significant antitumor activity was observed, with TGI values of 109% and 111% in the 10 mg/kg and 50 mg/kg groups, respectively.
References

[1]. Pharmaceutical composition and method for preparing active ingredient compound thereof. World Intellectual Property Organization, WO2023155760 A1. 2023-08-24.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C18H13F4N5O2
Molecular Weight
407.32
CAS #
2762619-63-4
Appearance
Light yellow to yellow solid
SMILES
O=C(N1CC(C1)N2C(N(C3=NC=CN=C32)C4=CC=C(C(F)(F)F)C=C4)=O)C(F)=C
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 : ~27.5 mg/mL (~67.51 mM; ultrasonic and warming and heat to 60°C)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.75 mg/mL (6.75 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 canAdd 100 μL of DMSO stock solution (27.5 mg/mL) to 900 μL of corn oil and mix well.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.4551 mL 12.2754 mL 24.5507 mL
5 mM 0.4910 mL 2.4551 mL 4.9101 mL
10 mM 0.2455 mL 1.2275 mL 2.4551 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)
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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:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
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  • 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.

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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.

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