SELADELPAR LYSINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H23F3O5S.C6H14N2O2.2H2O
Molecular Weight	626.683
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.NCCCC[C@H](N)C(O)=O.CCO[C@H](COC1=CC=C(C=C1)C(F)(F)F)CSC2=CC=C(OCC(O)=O)C(C)=C2

InChI

InChIKey=WTKSWPYGZDCUNQ-JZXFCXSPSA-N

InChI=1S/C21H23F3O5S.C6H14N2O2.2H2O/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;7-4-2-1-3-5(8)6(9)10;;/h4-10,17H,3,11-13H2,1-2H3,(H,25,26);5H,1-4,7-8H2,(H,9,10);2*1H2/t17-;5-;;/m10../s1

HIDE SMILES / InChI

Molecular Formula	C21H23F3O5S
Molecular Weight	444.465
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C6H14N2O2
Molecular Weight	146.1876
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: http://www.cymabay.com/pipeline_seladelpar.html | https://www.ncbi.nlm.nih.gov/pubmed/22169113 | https://www.ncbi.nlm.nih.gov/pubmed/29404484

MBX-8025 (Seladelpar) is an agonist of peroxisome proliferator-activated receptor delta. MBX-8025 improves insulin sensitivity and reverses dyslipidemia and hepatic storage of lipotoxic lipids to improve nonalcoholic steatohepatitis pathology in atherogenic diet-fed obese diabetic mice. MBX-8025 improves lipoprotein subfractions associated with atherogenic dyslipidemia. CymaBay Therapeutics is developing MBX-8025 for the treatment of patients with the autoimmune liver disease, primary biliary cholangitis and nonalcoholic steatohepatitis.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Peroxisome proliferator-activated receptor delta 29 Target ID: Q03181\|\|\|Q9BUD4 Gene ID: 5467.0 Gene Symbol: PPARD Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/29404484	Agonist 2678		2.0 nM [EC50]

PubMed

Title	Date	PubMed
MBX-8025, a novel peroxisome proliferator receptor-delta agonist: lipid and other metabolic effects in dyslipidemic overweight patients treated with and without atorvastatin.	2011 Sep	21752880

Sample Use Guides

In Vivo Use Guide

Phase 2 study to evaluate the safety and efficacy of MBX-8025 2 mg, 5 mg, and 10 mg over 52 weeks of treatment

Route of Administration: Oral

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:16:14 GMT 2023` Edited by `admin` on `Sat Dec 16 10:16:14 GMT 2023`
Record UNII	N1429130KR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SELADELPAR LYSINE

Official Name

English

MBX-8025 LYSINE SALT, DIHYDRATE

Common Name

English

L-LYSINE (4-(((2R)-2-ETHOXY-3-(4-(TRIFLUOROMETHYL)PHENOXY)PROPYL)SULFANYL)-2-METHYLPHENOXY)ACETATE DIHYDRATE

Systematic Name

English

SELADELPAR LYSINE [USAN]

Common Name

English

SELADELPAR LYSINE DIHYDRATE

Common Name

English

L-LYSINE, 2-(4-(((2R)-2-ETHOXY-3-(4-(TRIFLUOROMETHYL)PHENOXY)PROPYL)THIO)-2-METHYLPHENOXY)ACETATE, HYDRATE (1:1:2)

Systematic Name

English

MBX-8025 LYSINE

Common Name

English

MBX-8025 LYSINE DIHYDRATE

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

470715