NH-3 is an orally bioactive, reversible thyroid hormone receptor (THR) antagonist (inhibitor) with IC50 of 55 nM. NH-3 is an analogue of thyroxine-selective GC-1 that can inhibit/disrupts the binding of thyroid hormone to its receptor and inhibits cofactor recruitment.

Physicochemical Properties

Molecular Formula	C28H27NO6
Molecular Weight	473.52
Exact Mass	473.183
CAS #	447415-26-1
PubChem CID	10027822
Appearance	Light yellow to green yellow solid powder
LogP	6.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	35
Complexity	774
Defined Atom Stereocenter Count	0
SMILES	OC1C(C#CC2C=CC([N+]([O-])=O)=CC=2)=CC(CC2C(C)=CC(OCC(O)=O)=CC=2C)=CC=1C(C)C
InChi Key	IXMROOKFPWGDGF-UHFFFAOYSA-N
InChi Code	InChI=1S/C28H27NO6/c1-17(2)25-14-21(15-26-18(3)11-24(12-19(26)4)35-16-27(30)31)13-22(28(25)32)8-5-20-6-9-23(10-7-20)29(33)34/h6-7,9-14,17,32H,15-16H2,1-4H3,(H,30,31)
Chemical Name	2-[4-[[4-hydroxy-3-[2-(4-nitrophenyl)ethynyl]-5-propan-2-ylphenyl]methyl]-3,5-dimethylphenoxy]acetic 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
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

Targets	IC50: 55 nM (THR)[1]
ln Vivo	Heart rate was somewhat lowered by NH3 (46.2-27, 700 nmol/kg/day; 7 days); however, the effect vanished at >2920 nmol/kg/day. At 46.2 nmol/kg/day, NH3 has no influence on T3's ability to decrease cholesterol; but, at 924 nmol/kg/day, it inhibits tachycardia and TSH inhibition [2].
References	[1]. Chasing the Elusive Benzofuran Impurity of the THR Antagonist NH-3: Synthesis, Isotope Labeling, and Biological Activity. J Org Chem. 2016 Mar 4;81(5):1870-6. [2]. Pharmacological profile of the thyroid hormone receptor antagonist NH3 in rats. J Pharmacol Exp Ther. 2007 Jul;322(1):385-90. [3]. A thyroid hormone antagonist that inhibits thyroid hormone action in vivo. J Biol Chem. 2002 Sep 20;277(38):35664-70.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (211.18 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.28 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.1118 mL	10.5592 mL	21.1184 mL
	5 mM	0.4224 mL	2.1118 mL	4.2237 mL
	10 mM	0.2112 mL	1.0559 mL	2.1118 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.