MSC-4106

Name: MSC-4106
Brand: MedChemExpress
SKU: HY-147208
Rating: 4.5 (1 reviews)

Cat. No.: HY-147208 Purity: 99.82%: FAQs
Data Sheet SDS COA Handling Instructions

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MSC-4106 is an orally active and potent inhibitor of YAP/TAZ-TEAD. MSC-4106 inhibits TEAD1 or TEAD3 auto-palmitoylation and shows inhibitory effect on NCI-H226 tumor xenograft model.

For research use only. We do not sell to patients.

MSC-4106 Chemical Structure

CAS No. : 2738542-58-8

Size	Price	Stock	Quantity
5 mg	USD 300	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 480	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 800	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 1200	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 1800	In-stock	Estimated Time of Arrival: December 31
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Description

MSC-4106 is an orally active and potent inhibitor of YAP/TAZ-TEAD. MSC-4106 inhibits TEAD1 or TEAD3 auto-palmitoylation and shows inhibitory effect on NCI-H226 tumor xenograft model^[1].

IC₅₀ & Target

Target: YAP^[1]

Cellular Effect

Cell Line	Type	Value	Description	References
NCI-H226	IC₅₀	0.015 μM Compound: 23; MSC-4106	Cytotoxicity against human NCI-H226 cells assessed as cell viability at 10 uM measured for 7 days by celltiter-glo assay Cytotoxicity against human NCI-H226 cells assessed as cell viability at 10 uM measured for 7 days by celltiter-glo assay	[PMID: 35763499]
NCI-H226	IC₅₀	11 nM Compound: 23; MSC-4106	Inhibition of connective tissue growth factor expression in human NCI-H226 cells incubated for 96 hrs by ELISA method Inhibition of connective tissue growth factor expression in human NCI-H226 cells incubated for 96 hrs by ELISA method	[PMID: 35763499]
NCI-H226	IC₅₀	13 nM Compound: 23; MSC-4106	Inhibition of cysteine-rich angiogenic inducer 61 expression in human NCI-H226 cells incubated for 96 hrs by ELISA method Inhibition of cysteine-rich angiogenic inducer 61 expression in human NCI-H226 cells incubated for 96 hrs by ELISA method	[PMID: 35763499]
NCI-H226	IC₅₀	14 nM Compound: 23; MSC-4106	Cytotoxicity against human NCI-H226 cells assessed as cell viability measured for 4 days by celltiter-glo assay Cytotoxicity against human NCI-H226 cells assessed as cell viability measured for 4 days by celltiter-glo assay	[PMID: 35763499]
SK-HEP1	IC₅₀	10 nM Compound: 23; MSC-4106	Inhibition of connective tissue growth factor expression in human SK-HEP1 cells incubated for 96 hrs by ELISA method Inhibition of connective tissue growth factor expression in human SK-HEP1 cells incubated for 96 hrs by ELISA method	[PMID: 35763499]
SK-HEP1	IC₅₀	24 nM Compound: 23; MSC-4106	Inhibition of cysteine-rich angiogenic inducer 61 expression in human SK-HEP1 cells incubated for 96 hrs by ELISA method Inhibition of cysteine-rich angiogenic inducer 61 expression in human SK-HEP1 cells incubated for 96 hrs by ELISA method	[PMID: 35763499]
SW-620	IC₅₀	> 30000 nM Compound: 23; MSC-4106	Cytotoxicity against YAP/TAZ knockout human SW620 cells assessed as cell viability measured for 4 days by celltiter-glo assay Cytotoxicity against YAP/TAZ knockout human SW620 cells assessed as cell viability measured for 4 days by celltiter-glo assay	[PMID: 35763499]

In Vitro

MSC-4106 (10 μM, 24 h) inhibited SK-HEP-1 reporter and NCI-266 cell viability with IC₅₀ values of 4 nM and 14 nM, respectively^[1].
MSC-4106 (10 μM, 6 h) crystallizes in the P-site of TEAD1, and against TEAD1 or TEAD3 palmitoylation in TEAD-Overexpressing HEK293 Cells by 97.3% and 75.9%, respectively^[1].
MSC-4106 (10 μM, 4 d) targets TEAD indicated by a reduction in viability of NCI-H226 cells^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Cell Viability Assay^[1]

Cell Line:	NCI-H226 (YAP dependent); SW620 YAP/TAZ KO (Yap-independent) cells
Concentration:	0, 3, 6, 9, 12, 15, 18, 21, 24, 26, 30 μM
Incubation Time:	96 hours
Result:	Showed inhibitory effect to NCI-H226 and general cytotoxic to SW620 (IC₅₀ >30 μM).

Immunofluorescence^[1]

Cell Line:	SK-HEP-1
Concentration:	0, 3, 6, 9, 12, 15, 18, 21, 24, 26, 30 μM
Incubation Time:	24 hours
Result:	Inhibited YAP-TEAD interation.

In Vivo

MSC-4106 (100 mg/kg/d; p.o.; 7 d) displays anti-tumor effect with controlled tumor volume and good tolerability with stable body weight in mice^[1].
MSC-4106 (1, 5, 100 mg/kg/d; p.o.; 0-72 h) down-regulates Cyr61 (cysteine-rich angiogenic inducer 61) expression, the TEAD-regulated target gene, in tumor lysates at all time points at 100 mg/kg and 24 h at 5 mg/kg^[1].
Pharmacokinetics (PK) profile in different species^[1]

Parameter	Mouse	Rat	Dog
Cl (l/h/kg)	0.2	0.7	0.05
PO t_1/2 (h)	45	40	3.6
PO AUC (μg•h/mL)	45	10	33
V_ss (L/kg)	2	5	0.3
F (%)	>90	80	18

Note: PO studies were performed at 10 mg/kg; MSC-4106 was formulated in 20% Kleptose in 50 mM PBS at pH 7.4.

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Model:	NCI-H226 xenograft model in H2d Rag2 female mice (9-week-old)^[1]
Dosage:	5, 100 mg/kg
Administration:	Oral gavage; once daily; 32 days
Result:	Resulted tumor growth controlled with 5 mg/kg while regressed with 100 mg/kg dosing after 32 treatment days.

Molecular Weight

359.30

Formula

C₁₈H₁₂F₃N₃O₂

CAS No.

2738542-58-8

Appearance

Solid

Color

White to off-white

SMILES

O=C(C1=CC2=C(N(C3=CC=C(C(F)(F)F)C=C3)C4=NN(C)C=C42)C=C1)O

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

-20°C, sealed storage, away from moisture

*In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)

Solvent & Solubility

In Vitro:

DMSO : 250 mg/mL (695.80 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	2.7832 mL	13.9159 mL	27.8319 mL
5 mM	0.5566 mL	2.7832 mL	5.5664 mL
10 mM	0.2783 mL	1.3916 mL	2.7832 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator
Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

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Concentration _(final)

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In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Calculation results:

Working solution concentration: mg/mL

Purity & Documentation

Purity: 99.82%

Select Batch:

Data Sheet (279 KB) SDS (251 KB)

COA (252 KB) HNMR (275 KB) LCMS (267 KB)

Handling Instructions (2659 KB)

References

[1]. Timo Heinrich, et al. Optimization of TEAD P-site binding fragment hit into in vivo active lead MSC-4106. J. Med. Chem. 2022, 65, 13, 9206–9229. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	2.7832 mL	13.9159 mL	27.8319 mL	69.5797 mL
	5 mM	0.5566 mL	2.7832 mL	5.5664 mL	13.9159 mL
	10 mM	0.2783 mL	1.3916 mL	2.7832 mL	6.9580 mL
	15 mM	0.1855 mL	0.9277 mL	1.8555 mL	4.6386 mL
	20 mM	0.1392 mL	0.6958 mL	1.3916 mL	3.4790 mL
	25 mM	0.1113 mL	0.5566 mL	1.1133 mL	2.7832 mL
	30 mM	0.0928 mL	0.4639 mL	0.9277 mL	2.3193 mL
	40 mM	0.0696 mL	0.3479 mL	0.6958 mL	1.7395 mL
	50 mM	0.0557 mL	0.2783 mL	0.5566 mL	1.3916 mL
	60 mM	0.0464 mL	0.2319 mL	0.4639 mL	1.1597 mL
	80 mM	0.0348 mL	0.1739 mL	0.3479 mL	0.8697 mL
	100 mM	0.0278 mL	0.1392 mL	0.2783 mL	0.6958 mL

MSC-4106 Related Classifications

Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

MSC-41062738542-58-8MSC4106MSC 4106YAPYes-associated proteinorally activeHippo pathwayNCI-H226 cellsTEAD subtypepalmitoylationCyr61anti-tumorInhibitorinhibitorinhibit

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