Seladelpar
Also known as (+)-MBX-8025, 2-[4-[(2R)-2-ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]sulfanyl-2-methylphenoxy]acetic acid, ((4-(((2R)-2-Ethoxy-3-(4-(trifluoromethyl)phenoxy)propyl)thio)-2-methylphenyl)oxy)acetic acid
Key facts
What buyers check first
- CAS number
- 851528-79-5
- Formula
- C21H23F3O5S
- Molar mass
- 444.47 g/mol
- HS code
- 293090
- Category
- Cardiovascular and metabolic drugs
What is Seladelpar?
Plain description, key identifiers and synonyms
Seladelpar is an orally bioavailable agonist of peroxisome proliferator-activated receptor (PPAR)-delta (PPARd), with bile acids reducing activity. Upon oral administration, seladelpar targets, binds to and activates PPARd in the liver. This induces the expression of fibroblast growth factor 21 (FGF21), which downregulates CYP7A1, the key enzyme for the synthesis of bile acids from cholesterol. By reducing CYP7A1 expression, bile acid synthesis is reduced. This leads to reduced inflammation and scarring associated with primary biliary cholangitis (PBC).
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 2-[4-[(2R)-2-ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]sulfanyl-2-methylphenoxy]acetic acid
- CAS number
- 851528-79-5
- Molecular formula
- C21H23F3O5S
- UNII
- 7C00L34NB9
- MDL number
- MFCD28502443
- InChIKey
- JWHYSEDOYMYMNM-QGZVFWFLSA-N
- InChI
- InChI=1S/C21H23F3O5S/c1-3-27-17(11-28-16-6-4-15(5-7-16)21(22,23)24)13-30-18-8-9-19(14(2)10-18)29-12-20(25)26/h4-10,17H,3,11-13H2,1-2H3,(H,25,26)/t17-/m1/s1
- Canonical SMILES
- CCOC(COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1
- Isomeric SMILES
- CCO[C@H](COC1=CC=C(C=C1)C(F)(F)F)CSC2=CC(=C(C=C2)OCC(=O)O)C
Synonyms
- (+)-MBX-8025
- 2-[4-[(2R)-2-ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]sulfanyl-2-methylphenoxy]acetic acid
- ((4-(((2R)-2-Ethoxy-3-(4-(trifluoromethyl)phenoxy)propyl)thio)-2-methylphenyl)oxy)acetic acid
- 2-[4-[[(2R)-2-Ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]thio]-2-methylphenoxy]acetic acid
- Acetic acid, (4-(((2R)-2-ethoxy-3-(4-(trifluoromethyl)phenoxy)propyl)thio)-2-methylphenoxy)-
- Acetic acid, 2-(4-(((2R)-2-ethoxy-3-(4-(trifluoromethyl)phenoxy)propyl)thio)-2-methylphenoxy)-
- seladelparum
- 2-(4-(((2R)-2-Ethoxy-3-(4-(trifluoromethyl)phenoxy)propyl)thio)-2-methylphenoxy)acetic acid
- 2-(4-((2R)-2-ethoxy-3-(4-(trifluoromethyl)phenoxy)propyl)sulfanyl-2-methylphenoxy)acetic acid
- (R)-2-(4-((2-ethoxy-3-(4-(trifluoromethyl)phenoxy)propyl)thio)-2-methylphenoxy)acetic acid
- MBX-8025 (Seladelpar)
- Seladelpar?
- (R)-2-[4-[[2-Ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]thio]-2-methylphenoxy]acetic Acid
- KKB
- 851528-79-5 (free base)
- Seladelpar (USAN/INN)
- compound 3r
- MBX-8025, RWJ-800025
- (R)-2-(4-(2-ethoxy-3-(4-(trifluoromethyl)phenoxy)propylthio)-2-methylphenoxy)acetic acid
- (R)-2-(4-((2-Ethoxy-3-(4-(trifluoromethyl)phenoxy)propyl)-thio)-2-methylphenoxy)acetic acid
- 2-[4-[(2R)-2-ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]sulfanyl-2-methyl-phenoxy]acetic acid
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 444.47 g/molcalc.Computed value |
|---|---|
| Exact mass | 444.1218 Dacalc.Computed value |
| LogP (octanol/water) | 5.05calc.Computed value |
| Topological polar surface area | 64.99 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 5calc.Computed value |
| Rotatable bonds | 11calc.Computed value |
| Heavy atoms | 30calc.Computed value |
| Rings | 2calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.38calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 1calc.Computed value |
| Lipinski rule of five | Passes (1 violation)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
c1ccc(OCCCSc2ccccc2)cc1
2 rings, 17 atoms, the Benzene, ((3-phenoxypropyl)thio)- ring system.
26 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Seladelpar suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, Cangzhou ManufacturerUnclaimed profileSeladelparGrade, purity and minimum order on requestPrice on request
- China, WuhanUnclaimed profileSeladelparGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
2 suppliers in 1 country
Send one request to many suppliers
Choose up to 10 suppliers or let us match your request. Compare quotes side by side, free.
Seladelpar price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Pharmacological actions
- Hypolipidemic Agents
Roles
- anticholesteremic drug
- antilipemic drug
- pharmaceutical
Pharmacology
Seladelpar is an orally available peroxisome proliferator-activated receptor delta (PPARδ) agonist that is used in combination with ursodeoxycholic acid to treat primary biliary cholangitis (PBC). Seladelpar therapy is associated with rare instances of worsening of liver enzymes during therapy but has not been convincingly linked to episodes of clinically apparent liver injury with jaundice.
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- Active ingredient in FDA approved drug labels
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Seladelpar is traded under.
Organo-sulphur compounds, other
- China40.7%
- United States10.9%
- Japan9.3%
- United States13.3%
- Brazil12.6%
- China6.6%
The HS code shown for Seladelpar is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Seladelpar, based on the data on this page
What is Seladelpar?
What is the CAS number of Seladelpar?
What is the molecular formula and weight of Seladelpar?
What is Seladelpar used for?
Is Seladelpar hazardous?
What is the HS code of Seladelpar?
Where can I buy Seladelpar?
What is the price of Seladelpar?
Guides for buyers
Practical guides that help when you source, ship or handle Seladelpar
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
Get quotes for Seladelpar
Embed this structure on your websiteShow code
Paste this code into your page to show the 2D structure of Seladelpar with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.
<iframe src="https://www.compoundlist.com/embed/structure/seladelpar-851528-79-5" title="Seladelpar structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>Explore more in Cardiovascular and metabolic drugs or HS code 293090