Seladelpar

Base Information

Chemical Name:Seladelpar
CAS No.:851528-79-5
Molecular Formula:C₂₁H₂₃F₃O₅S
Molecular Weight:444.472
Hs Code.:
UNII:7C00L34NB9
DSSTox Substance ID:DTXSID001045332
Wikipedia:Seladelpar
Wikidata:Q27268037
NCI Thesaurus Code:C167015
Pharos Ligand ID:ZTLWC7SM8K2M
Metabolomics Workbench ID:153384
ChEMBL ID:CHEMBL230158
Mol file:851528-79-5.mol

Synonyms:(4-(((2R)-2-Ethoxy-3-(4-(trifluoromethyl)phenoxy)propyl)sulfanyl)-2-methylphenoxy)acetic acid;seladelpar

Suppliers and Price of Seladelpar

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
MBX8025
10mg
$ 415.00

DC Chemicals
Seladelpar >98%
1 g
$ 2000.00

Total 18 raw suppliers

Chemical Property of Seladelpar

Chemical Property:

XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:11
Exact Mass:444.12182949
Heavy Atom Count:30
Complexity:511

Purity/Quality:

99%, ^*data from raw suppliers

MBX8025 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(COC1=CC=C(C=C1)C(F)(F)F)CSC2=CC(=C(C=C2)OCC(=O)O)C
Isomeric SMILES:CCO[C@H](COC1=CC=C(C=C1)C(F)(F)F)CSC2=CC(=C(C=C2)OCC(=O)O)C
Recent ClinicalTrials:Seladelpar in Subjects With Primary Biliary Cholangitis (PBC)
Recent EU Clinical Trials:RESPONSE: A Placebo-controlled, Randomized, Phase 3 Study to Evaluate the Efficacy and Safety of Seladelpar in Patients With Primary Biliary Cholangitis (PBC) and an Inadequate Response to or an Intolerance to Ursodeoxycholic Acid (UDCA)
Uses MBX 8025, is an orally active, potent (2 nM), and specific (>750-fold and >2500-fold compared with PPAR-α or PPAR-γ receptors, respectively) PPAR-δ agonist being developed as a lipid-altering agent[.

Technology Process of Seladelpar

There total 7 articles about Seladelpar 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:

: 851528-83-1
(R)-{4-[2-ethoxy-3-(4-trifluoromethyl-phenoxy)-propylsulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester

: 851528-79-5
(R)-2-(4-((2-ethoxy-3-(4-(trifluoromethyl)phenoxy)propyl)-sulfanyl)-2-methylphenoxy)acetic acid

Guidance literature:: With lithium hydroxide; In tetrahydrofuran;
DOI:10.1016/j.bmcl.2007.05.007

Reference yield:

: 851528-81-9
(R)-{4-[2-hydroxy-3-(4-trifluoromethyl-phenoxy)-propylsulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester

: 851528-79-5
(R)-2-(4-((2-ethoxy-3-(4-(trifluoromethyl)phenoxy)propyl)-sulfanyl)-2-methylphenoxy)acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: NaH

2: aq. LiOH / tetrahydrofuran

With lithium hydroxide; sodium hydride; In tetrahydrofuran;
DOI:10.1016/j.bmcl.2007.05.007

Reference yield:

: 256372-58-4
(S)-2-((4-(trifluoromethyl)phenoxy)methyl)oxirane

: 851528-79-5
(R)-2-(4-((2-ethoxy-3-(4-(trifluoromethyl)phenoxy)propyl)-sulfanyl)-2-methylphenoxy)acetic acid

Guidance literature:: Multi-step reaction with 3 steps

1: TBAF / tetrahydrofuran

2: NaH

3: aq. LiOH / tetrahydrofuran

With lithium hydroxide; tetrabutyl ammonium fluoride; sodium hydride; In tetrahydrofuran;
DOI:10.1016/j.bmcl.2007.05.007