3,3',5-Triiodo-L-thyronine sodium salt - ≥97% , Thyroid hormone receptor agonist, CAS No.55-06-1, Thyroid hormone receptor agonist

CAS: 55-06-1 Cat. No.: L129594 Molecular Weight: 672.96 EC Number: 200-223-5

GRADE & PURITY ≥97%

Synonyms

T3 | (S)-2-amino-3-(4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl)propanoic acid sodium salt | LIOTHYRONINE SODIUM (EP MONOGRAPH) | T3 sodium salt | TRIIODOTHYRONINE SODIUM, LEVO | LIOTHYRONINE SODIUM (USP MONOGRAPH) | (r)-(-)-n,2-dimethyl-n-2-propynylphen

Storage

Room temperature

Shipped In

Normal

Overview

3,3',5-Triiodo-L-thyronine sodium salt is the most potent form of thyroid hormone acting on the body to increase the basal metabolic rate, affect protein synthesis.
A compound that stimulates respiratory activity at the mitochondrial level.

Specifications

Synonyms

T3 | (S)-2-amino-3-(4-(4-hydroxy-3-iodophenoxy)-3, 5-diiodophenyl)propanoic acid sodium salt | LIOTHYRONINE SODIUM (EP MONOGRAPH) | T3 sodium salt | TRIIODOTHYRONINE SODIUM, LEVO | LIOTHYRONINE SODIUM (USP MONOGRAPH) | (r)-(-)-n, 2-dimethyl-n-2-propynylphen

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

L-3, 3', 5-Triiodothyronine, Sodium Salt is shown to stimulate respiratory activity at the mitochondrial level.Thyroid hormone (T3) analog. Targets thyroid hormone receptor α and thyroid hormone receptor β-1. Acts on the body to increase the basal metabolic

Storage

Room temperature

Shipped In

Normal

Action Type

AGONIST

Mechanism of action

Thyroid hormone receptor agonist

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488200419
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200419
• Canonical Smiles: C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)[O-])N)I)I)O.[Na+]
• IUPAC Name: sodium;(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate
• InChIKey: SBXXSUDPJJJJLC-YDALLXLXSA-M
• INCHI: 1S/C15H12I3NO4.Na/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;/h1-4,6,12,20H,5,19H2,(H,21,22);/q;+1/p-1/t12-;/m0./s1
• Isomeric SMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)[O-])N)I)I)O.[Na+]
• Molecular Weight: 672.96
• Reaxy-Rn: 24728180
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24728180&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Phenylalanine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Phenylalanine and derivatives
• Alternative Parents: Diphenylethers Phenylpropanoic acids Diarylethers Amphetamines and derivatives L-alpha-amino acids Phenoxy compounds Phenol ethers O-iodophenols 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Iodobenzenes Aryl iodides Amino acids Carboxylic acid salts Organic metal halides Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organopnictogen compounds Carbonyl compounds Organic sodium salts Organic zwitterions Organoiodides Monoalkylamines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - Diphenylether - 3-phenylpropanoic-acid - Diaryl ether - Alpha-amino acid - Amphetamine or derivatives - L-alpha-amino acid - Phenoxy compound - Phenol ether - 2-iodophenol - 2-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Iodobenzene - Halobenzene - Aralkylamine - Aryl halide - Aryl iodide - Benzenoid - Monocyclic benzene moiety - Carboxylic acid salt - Amino acid - Organic metal halide - Carboxylic acid - Organic alkali metal salt - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organopnictogen compound - Primary aliphatic amine - Organic zwitterion - Organic salt - Organic sodium salt - Organic oxygen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Primary amine - Organohalogen compound - Organoiodide - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: organic sodium salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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POLB Tchem DNA polymerase beta (23632 Activities)

Discover Target: POLB

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 Activities)

Discover Target: ALOX12

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HEK293 (82097 Activities)

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HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)

Discover Target: HIF1A

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MCL1 Tchem Induced myeloid leukemia cell differentiation protein Mcl-1 (3820 Activities)

Discover Target: MCL1

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ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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USP2 Tbio Ubiquitin carboxyl-terminal hydrolase 2 (8818 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

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LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

Discover Target: HPGD

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GMNN Tbio Geminin (128009 Activities)

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MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

Discover Target: MBNL1

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

Discover Target: BAZ2B

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

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RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)

Discover Target: RUNX1

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Associated Targets(non-human)

Cruzipain (33337 Activities)

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Plasmodium falciparum (966862 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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TGR Thioredoxin glutathione reductase (28579 Activities)

Discover Target: TGR

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Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (partly miscible), dilute alkalies, 1 M HCl:EtOH (1:4) (10 mg/mL), DMSO, 100 mM NaOH (10 mg/ml), 4 M NH4OH in methanol (5 mg/ml), 1 N HCl : Alcohol mixture (1 : 2), 50% Ammonium hydroxide (20 mg/ml - clear, brown solution), 1 N Sodium hy
• Molecular Weight: 672.950 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 672.772 Da
• Monoisotopic Mass: 672.772 Da
• Topological Polar Surface Area: 95.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 408.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Mei Yang, Youning Ma, Wenjun Gui, Yiping Ren, Guonian Zhu, Yihua Liu.  (2015)  Determination of 26 endocrine disrupting chemicals in fish and water using modified QuEChERS combined with solid-phase extraction and UHPLC-MS/MS.  Analytical Methods,  7  (19): (8418-8431).  [PMID:] [10.1039/C5AY01082A]