Thyroxine Methyl Ester

Base Information

• Chemical Name: Thyroxine Methyl Ester
• CAS No.: 32180-11-3
• Molecular Formula: C16H13I4NO4
• Molecular Weight: 790.89700
• DSSTox Substance ID: DTXSID20552374
• Wikidata: Q82432575
• Mol file: 32180-11-3.mol

Synonyms:Thyroxine Methyl Ester;32180-11-3;METHYL (2S)-2-AMINO-3-[4-(4-HYDROXY-3,5-DIIODOPHENOXY)-3,5-DIIODOPHENYL]PROPANOATE;L-Thyroxine Methyl Ester;SCHEMBL8369341;DTXSID20552374;ZTSGDCMQRKBJKC-ZDUSSCGKSA-N;L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, methyl ester;Methyl O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosinate;(S)-Methyl 2-amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)propanoate;(S)-Methyl2-amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)propanoate

Chemical Property of Thyroxine Methyl Ester

Chemical Property:

• Appearance/Colour: Pale Beige to Beige Solid
• Melting Point: 88-91°C
• Boiling Point: 547.4±50.0 °C(Predicted)
• PKA: 6.90±0.25(Predicted)
• PSA: 81.78000
• Density: 2.470±0.06 g/cm3(Predicted)
• LogP: 5.34600
• Storage Temp.: Amber Vial, Refrigerator
• Solubility.: Chloroform (Slightly, Sonicated), DMSO (Slightly), Methanol (Slightly, Heated)
• XLogP3: 5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 790.7023
• Heavy Atom Count: 25
• Complexity: 434

Purity/Quality:

99% ^*data from raw suppliers

ThyroxineMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)N
• Isomeric SMILES: COC(=O)[C@H](CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)N
• Uses: 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 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.

Technology Process of Thyroxine Methyl Ester

There total 3 articles about Thyroxine Methyl Ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

methanol (67-56-1) + L-thyroxine (51-48-9,24486-40-6) → (S)-2-Amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]-propionic acid methyl ester (32180-11-3)

Guidance literature:

With hydrogenchloride;

Reference yield:

3,5-diiodo-thyronine methyl ester → 3,5,3',5'-tetraiodo-thyronine methyl ester (86154-71-4,32180-11-3)

Guidance literature:

With methanol; N-butylamine; anschliessend Behandeln mit Jod;

DOI:10.1039/jr9500000840

Reference yield:

→ 3,5,3',5'-tetraiodo-thyronine methyl ester (86154-71-4,32180-11-3)

Guidance literature:

/BRN= 3223057/;

upstream raw materials:

methanol

L-thyroxine

Downstream raw materials:

N-(3-carboxy-propionyl)-3,5,3',5'-tetraiodo-thyronine

N-acetyl-thyroxine

3,5,3',5'-tetraiodo-O'-methyl-DL-thyronine

Refernces