Seladelpar lysineProduct ingredient for Seladelpar
- Name
- Seladelpar lysine
- Drug Entry
- Seladelpar
Seladelpar (MBX-8025) has been used in trials studying the treatment of Hyperlipidemia.
- Accession Number
- DBSALT003342
- Structure
Structure for Seladelpar lysine (DBSALT003342)
- Synonyms
- L-LYSINE (4-(((2R)-2-ETHOXY-3-(4-(TRIFLUOROMETHYL)PHENOXY)PROPYL)SULFANYL)-2-METHYLPHENOXY)ACETATE DIHYDRATE / MBX-8025 lysine / MBX-8025 lysine dihydrate / MBX-8025 lysine salt, dihydrate / Seladelpar lysine dihydrate
- UNII
- N1429130KR
- CAS Number
- 928821-40-3
- Weight
- Average: 626.69
Monoisotopic: 626.248486571 - Chemical Formula
- C27H41F3N2O9S
- InChI Key
- WTKSWPYGZDCUNQ-JZXFCXSPSA-N
- InChI
- 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
- IUPAC Name
- (2S)-2,6-diaminohexanoic acid 2-(4-{[(2R)-2-ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]sulfanyl}-2-methylphenoxy)acetic acid dihydrate
- SMILES
- O.O.NCCCC[C@H](N)C(O)=O.CCO[C@H](COC1=CC=C(C=C1)C(F)(F)F)CSC1=CC=C(OCC(O)=O)C(C)=C1
- External Links
- ChemSpider
- 52085097
- ChEMBL
- CHEMBL3989960
- Predicted Properties
Property Value Source logP 5.07 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 64.99 Å2 Chemaxon Rotatable Bond Count 17 Chemaxon Refractivity 108.6 m3·mol-1 Chemaxon Polarizability 44.04 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon