IUPAC/Chemical Name
Acetic acid, (4-((4-hydroxy-3-(1-methylethyl)-5-((4-nitrophenyl)ethynyl)phenyl)methyl)-3,5-dimethylphenoxy)-
InChi Key
IXMROOKFPWGDGF-UHFFFAOYSA-N
InChi Code
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)
SMILES Code
CC(C)c1cc(Cc2c(C)cc(OCC(=O)O)cc2C)cc(C#Cc3ccc(cc3)[N+](=O)[O-])c1O
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Thyroid hormones (THs) are essential for normal vertebrate development and diverse environmental chemicals are hypothesized to cause developmental toxicity by disrupting TH-mediated signaling. The larval zebrafish (Danio rerio) is an emerging in vivo model of developmental TH disruption; however, the effects of TR antagonism have not yet been studied in zebrafish. NH3, generally considered a potent and specific thyroid hormone receptor (TR) antagonist, has been used in rodents and Xenopus laevis to characterize phenotypes of TR antagonism.
Preparing Stock Solutions
The following data is based on the
product
molecular weight
473.52
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
1. Singh L, Pressly B, Mengeling BJ, Fettinger JC, Furlow JD, Lein PJ, Wulff H, Singh V. 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. doi: 10.1021/acs.joc.5b02665. Epub 2016 Feb 18. PMID: 26849160.
2. Schreiber T, Gassmann K, Götz C, Hübenthal U, Moors M, Krause G, Merk HF, Nguyen NH, Scanlan TS, Abel J, Rose CR, Fritsche E. Polybrominated diphenyl ethers induce developmental neurotoxicity in a human in vitro model: evidence for endocrine disruption. Environ Health Perspect. 2010 Apr;118(4):572-8. doi: 10.1289/ehp.0901435. PMID: 20368126; PMCID: PMC2854737.
3. Walter KM, Singh L, Singh V, Lein PJ. Investigation of NH3 as a selective thyroid hormone receptor modulator in larval zebrafish (Danio rerio). Neurotoxicology. 2021 May;84:96-104. doi: 10.1016/j.neuro.2021.03.003. Epub 2021 Mar 18. PMID: 33745965; PMCID: PMC8119357.