Eprotirome

Base Information

• Chemical Name: Eprotirome
• CAS No.: 355129-15-6
• Molecular Formula: C₁₈H₁₇Br₂NO₅
• Molecular Weight: 487.145
• UNII: 958AQ7B6R1
• DSSTox Substance ID: DTXSID00189021
• Nikkaji Number: J2.556.467G
• Wikidata: Q27271763
• NCI Thesaurus Code: C81533
• Pharos Ligand ID: 4CJ6DKF5Q8Q1
• Metabolomics Workbench ID: 149379
• ChEMBL ID: CHEMBL2035874
• Mol file: 355129-15-6.mol

Synonyms:3-((3,5-dibromo-4-(4-hydroxy-3-(1-methylethyl)phenoxy)phenyl)amino)-3-oxopropanoic acid;eprotirome;KB 2115;KB-2115;KB2115

Chemical Property of Eprotirome

Chemical Property:

• Boiling Point: 596.315 °C at 760 mmHg
• PKA: 3.16±0.32(Predicted)
• Flash Point: 314.44 °C
• PSA: 95.86000
• Density: 1.709 g/cm³
• LogP: 5.31910
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 486.94530
• Heavy Atom Count: 26
• Complexity: 492

Purity/Quality:

99% ^*data from raw suppliers

Eprotirome ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)NC(=O)CC(=O)O)Br)O
• Recent ClinicalTrials: Efficacy and Safety Study of Eprotirome in HeFH Patients Who Are on Optimal Standard of Care
• Recent EU Clinical Trials: A Placebo-controlled, Double-blind, Randomised, Parallel-group, Long-term Phase III Trial Assessing the Safety and Efficacy of 50 μg and 100 μg/day of eprotirome in Patients with Heterozygous Familial Hypercholesterolaemia who are on Optimal Standard of Care
• Uses: Eprotirome, is a liver-selective thyroid hormone receptor agonist.

Technology Process of Eprotirome

There total 1 articles about Eprotirome 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:

4-(4-amino-2,6-dibromophenoxy)-2-isopropylphenol (355129-22-5) + 2-ethylmalonyl dichloride (55552-69-7) + malonoyl dichloride (1663-67-8) → Eprotirome (355129-15-6)

Guidance literature:

With sodium hydroxide; In tert-butyl methyl ether;

upstream raw materials:

4-(4-amino-2,6-dibromophenoxy)-2-isopropylphenol

2-ethylmalonyl dichloride

malonoyl dichloride

Refernces