3,3'-Diiodothyronine-4-sulfate

Base Information

• Chemical Name: 3,3'-Diiodothyronine-4-sulfate
• CAS No.: 64192-57-0
• Molecular Formula: C₁₅H₁₃I₂NO₇S
• Molecular Weight: 605.146
• DSSTox Substance ID: DTXSID50214397
• Wikidata: Q27116475
• Mol file: 64192-57-0.mol

Synonyms:3,3'-diiodothyronine-4-sulfate;3,3'-T2 sulfate;3,3'-T2S

Chemical Property of 3,3'-Diiodothyronine-4-sulfate

Chemical Property:

• PSA: 144.53000
• Density: 2.175g/cm³
• LogP: 4.60520
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 604.85022
• Heavy Atom Count: 26
• Complexity: 585

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CC(C(=O)O)N)I)OC2=CC(=C(C=C2)OS(=O)(=O)O)I
• Isomeric SMILES: C1=CC(=C(C=C1C[C@@H](C(=O)O)N)I)OC2=CC(=C(C=C2)OS(=O)(=O)O)I

Technology Process of 3,3'-Diiodothyronine-4-sulfate

There total 4 articles about 3,3'-Diiodothyronine-4-sulfate 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: 16.0%

L-3,3'-Diiodothyronine (70-40-6,58342-32-8,4604-41-5) → 3,3'-diiodo-L-thyronine sulfate (64192-57-0)

Guidance literature:

With chlorosulfonic acid; trifluoroacetic acid; at 0 ℃;

DOI:10.1002/chem.201405442

Reference yield:

L-thyroxine sulfate (77074-49-8) → 3,3'-diiodo-L-thyronine sulfate (64192-57-0) + 3,3'5'-triiodo-L-thyronine sulfate + L-Triiodothyronine sulfate (31135-55-4)

Guidance literature:

With sodium tetrahydroborate; diothiothreitol; In aq. phosphate buffer; at 37 ℃; pH=7.5;

DOI:10.1002/chem.201405442

Reference yield:

3,3′-diiodothyronine (70-40-6) → C15H13I2NO7S (64192-57-0)

Guidance literature:

With adenosine 3′-phosphate 5′-phosphosulfate lithium salt hydrate; In aq. phosphate buffer;

DOI:10.1021/tx400342k

upstream raw materials:

L-thyroxine

L-3,3'-Diiodothyronine

L-thyroxine sulfate

3,3′-diiodothyronine

Refernces

• 1、 Manna, Debasish,Mondal, Santanu,Mugesh, Govindasamy. "Halogen bonding controls the regioselectivity of the deiodination of thyroid hormones and their sulfate analogues". . p. 2409 - 2416. Retrieved 2015/01/30.