TEAD-IN-2 is a novel, orally bioactive, TEAD inhibitor that regulates the transcription enhancer-associated domain (TEAD) through ubiquitination and/or compound degradation. TEAD-IN-2 may be utilized to study a variety of diseases, disorders or conditions associated with TEAD.

Physicochemical Properties

Molecular Formula	C16H18BRF3N2O
Molecular Weight	391.23
Exact Mass	390.055
CAS #	2563849-97-6
PubChem CID	155353415
Appearance	White to off-white solid powder
LogP	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	23
Complexity	428
Defined Atom Stereocenter Count	0
SMILES	C1CN(CC2C=CC(C(F)(F)F)=CC=2)CCC1C1ON=C(Br)C1
InChi Key	PGYSFRYXGVNVIO-UHFFFAOYSA-N
InChi Code	InChI=1S/C16H18BrF3N2O/c17-15-9-14(23-21-15)12-5-7-22(8-6-12)10-11-1-3-13(4-2-11)16(18,19)20/h1-4,12,14H,5-10H2
Chemical Name	3-bromo-5-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4,5-dihydro-1,2-oxazole
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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References

[1]. Preparation of heterocyclic compounds as TEAD degraders and uses thereof. Patent wo2022120355A1.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~255.60 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.5 mg/mL (6.39 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication. 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 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 (6.39 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (6.39 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	2.5560 mL	12.7802 mL	25.5604 mL
	5 mM	0.5112 mL	2.5560 mL	5.1121 mL
	10 mM	0.2556 mL	1.2780 mL	2.5560 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.