Cat. No.: HY-147208

MSC-4106

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Based on 1 Customer Validation

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.

Purity: 99.87%
CAS No.: 2738542-58-8
Formula: C₁₈H₁₂F₃N₃O₂
Molecular Weight:359.30

Storage:

-20°C, sealed storage, away from moisture

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

MSC-4106 Chemical Structure

CAS No.: 2738542-58-8

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Biological Activity
- Description
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
Solvent & Solubility
- In Vitro
Purity & Documentation
References
Help & FAQs
Bioz

Biological Activity

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

YAP/TAZ-TEAD

All YAP Isoforms :

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.

Chemical Information

CAS No. 2738542-58-8
Appearance Solid
Molecular Weight 359.30
Formula C₁₈H₁₂F₃N₃O₂
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)

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

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

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

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

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Dilution Calculator

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Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (279 KB)
SDS (252 KB)
- English - EN (252 KB)
- Français - FR (252 KB)
- Deutsch - DE (252 KB)
- Norwegian - NO (252 KB)
- Español - ES (252 KB)
- Swedish - SV (252 KB)
- Italian - IT (252 KB)
- Portuguese - PT (252 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 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]

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

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

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MSC-4106

Stem Cell Signaling Compound Library

Wnt/Hedgehog/Notch Compound Library

Anti-Cancer Compound Library

Anti-Aging Compound Library

Orally Active Compound Library

Transcription Factor-Targeted Library

Anti-Liver Cancer Compound Library

Anti-Colorectal Cancer Compound Library

Anti-Pulmonary Fibrosis Compound Library

Cancer Stem Cells Compound Library

Heterocyclic Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

Cell Proliferation Compound Library

High-Throughput Bioactive Compound Library

All YAP Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

MSC-4106

Stem Cell Signaling Compound Library

Wnt/Hedgehog/Notch Compound Library

Anti-Cancer Compound Library

Anti-Aging Compound Library

Orally Active Compound Library

Transcription Factor-Targeted Library

Anti-Liver Cancer Compound Library

Anti-Colorectal Cancer Compound Library

Anti-Pulmonary Fibrosis Compound Library

Cancer Stem Cells Compound Library

Heterocyclic Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

Cell Proliferation Compound Library

High-Throughput Bioactive Compound Library

All YAP Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

MSC-4106 Related Classifications

Cat. No.: HY-147208