Thyroxine methyl ester - Moligand™,≥95% , CAS No.32180-11-3

CAS: 32180-11-3 Cat. No.: T275997 Molecular Weight: 790.9 PubChem CID: 13911218

GRADE & PURITY Moligand™, ≥95%

Synonyms

(S)-Methyl 2-amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)propanoate | SCHEMBL8369341 | Thyroxine Methyl Ester | (S)-Methyl2-amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)propanoate | ZTSGDCMQRKBJKC-ZDUSSCGKSA-N | L-Tyrosine, O-(4

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. It is important to note that this product is reported to be light sensitive. Store In the Dark. Store under desiccating conditions.

application：

Thyroxine Methyl Ester is the methyl ester analog of Thyroxine (T425600) with high cross reactivity with thyroxine-specific monoclonal antibodies of humans and lab animals. It is an inhibitor of malate dehydrogenase.Thyroxine Methyl Ester is suitable for malate dehydrogenase (MDH) related research.

Specifications

Synonyms

(S)-Methyl 2-amino-3-(4-(4-hydroxy-3, 5-diiodophenoxy)-3, 5-diiodophenyl)propanoate | SCHEMBL8369341 | Thyroxine Methyl Ester | (S)-Methyl2-amino-3-(4-(4-hydroxy-3, 5-diiodophenoxy)-3, 5-diiodophenyl)propanoate | ZTSGDCMQRKBJKC-ZDUSSCGKSA-N | L-Tyrosine, O-(4

Specifications & Purity

Moligand™, ≥95%

Biochemical and Physiological Mechanisms

Methyl ester analog of thyroxine. Malate dehydrogenase inhibitor.

Storage

Protected from light, Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

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

≥95%

Names and Identifiers

• Pubchem Sid: 504767530
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767530
• Canonical Smiles: COC(=O)C(CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)N
• IUPAC Name: methyl (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate
• InChIKey: ZTSGDCMQRKBJKC-ZDUSSCGKSA-N
• INCHI: 1S/C16H13I4NO4/c1-24-16(23)13(21)4-7-2-11(19)15(12(20)3-7)25-8-5-9(17)14(22)10(18)6-8/h2-3,5-6,13,22H,4,21H2,1H3/t13-/m0/s1
• Isomeric SMILES: COC(=O)[C@H](CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)N
• PubChem CID: 13911218
• Molecular Weight: 790.9

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: Alpha amino acid esters Diphenylethers Diarylethers Amphetamines and derivatives Phenoxy compounds Phenol ethers O-iodophenols Aralkylamines Fatty acid esters Iodobenzenes Aryl iodides Methyl esters Monocarboxylic acids and derivatives Hydrocarbon derivatives Organoiodides Organic oxides Carbonyl compounds Organopnictogen compounds Monoalkylamines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - Alpha-amino acid ester - Diphenylether - Diaryl ether - Amphetamine or derivatives - Phenoxy compound - 2-halophenol - 2-iodophenol - Phenol ether - Fatty acid ester - Halobenzene - Iodobenzene - Phenol - Aralkylamine - Fatty acyl - Aryl halide - Benzenoid - Aryl iodide - Monocyclic benzene moiety - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Organic oxide - Amine - Organic nitrogen compound - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Primary amine - Organoiodide - Organic oxygen compound - Primary aliphatic amine - 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: Not available

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

Chemical and Physical Properties

• Solubility: Soluble in DMSO；Chloroform (Slightly, Sonicated), DMSO (Slightly), Methanol (Slightly, Heated)
• Sensitivity: light sensitive
• Melt Point(°C): 88-91°C
• Molecular Weight: 790.900 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 790.702 Da
• Monoisotopic Mass: 790.702 Da
• Topological Polar Surface Area: 81.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 434.000
• 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: 1