T4-ATA S-isomer is the S-isomer of T4-ATA, the active form of thyroid hormone.

Physicochemical Properties

Molecular Formula	C19H15I4NO6S
Molecular Weight	893.01
Exact Mass	892.679
CAS #	2448470-97-9
PubChem CID	138377586
Appearance	White to off-white solid powder
Density	2.386±0.06 g/cm3(Predicted)
Boiling Point	725.7±60.0 °C(Predicted)
LogP	5.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Heavy Atom Count	31
Complexity	635
Defined Atom Stereocenter Count	1
SMILES	CC(=O)SCC(=O)N[C@@H](CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)C(=O)O
InChi Key	PKXLGQLIXYSSTB-HNNXBMFYSA-N
InChi Code	InChI=1S/C19H15I4NO6S/c1-8(25)31-7-16(26)24-15(19(28)29)4-9-2-13(22)18(14(23)3-9)30-10-5-11(20)17(27)12(21)6-10/h2-3,5-6,15,27H,4,7H2,1H3,(H,24,26)(H,28,29)/t15-/m0/s1
Chemical Name	(2S)-2-[(2-acetylsulfanylacetyl)amino]-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
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, avoid exposure to moisture.
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

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (111.98 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (2.80 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 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 (2.80 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	1.1198 mL	5.5990 mL	11.1981 mL
	5 mM	0.2240 mL	1.1198 mL	2.2396 mL
	10 mM	0.1120 mL	0.5599 mL	1.1198 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.