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NH-3

CAT: 0013-GTR19169974-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19169974-02Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NH-3 is a potent, orally bioavailable thyroid hormone receptor (THR) antagonist with an IC50 of 55 nM. Derived from GC-1, it reversibly blocks hormone binding and cofactor recruitment, making it a valuable tool for studying hyperthyroidism and metabolic disorders in both cellular and animal models.
CAS Number
447415-26-1
Product Name Alternative
Cofactor, inhibit, Inhibitor, NH3, NH-3, NH 3, orally, GC-1, Thyroidhormonereceptor (THR), Thyroidhormonereceptor, Thyroid hormone receptor (THR), Thyroid hormone receptor, Thyroid Hormone Receptor, Thyroid hormone, thyromi-metic, THR, recruitment
Field of Research
Metabolism Research
Purity
97.09% (May vary between batches)
Solubility
DMSO:95 mg/mL (200.63 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (6.97 mM)
Smiles
CC (C) c1cc (Cc2c (C) cc (OCC (O) =O) cc2C) cc (C#Cc2ccc (cc2) [N+] ([O-]) =O) c1O
Molecular Formula
C28H27NO6
Molecular Weight
473.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(4-(4-Hydroxy-3-isopropyl-5-(4-nitrophenylethynyl)benzyl)-3,5-dimethylphenoxy)acetic acid

a triiodothyronine inhibitor; structure in first source

CAS Number447415-26-1
PubChem CID10027822
IUPAC Name2-[4-[[4-hydroxy-3-[2-(4-nitrophenyl)ethynyl]-5-propan-2-ylphenyl]methyl]-3,5-dimethylphenoxy]acetic acid
Molecular FormulaC28H27NO6
Molecular Weight473.5
XLogP6.8
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity774
SMILES
CC1=CC(=CC(=C1CC2=CC(=C(C(=C2)C(C)C)O)C#CC3=CC=C(C=C3)[N+](=O)[O-])C)OCC(=O)O
InChI
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)
InChIKey
IXMROOKFPWGDGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-(4-Hydroxy-3-isopropyl-5-(4-nitrophenylethynyl)benzyl)-3,5-dimethylphenoxy)acetic acid
CAS: 447415-26-1
CID: 10027822
Formula: C28H27NO6
MW: 473.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.5
XLogP36.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass473.18383758
Monoisotopic Mass473.18383758
Topological Polar Surface Area113 Ų
Heavy Atom Count35
Formal Charge0
Complexity774
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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