Aleglitazar

Aleglitazar is a peroxisome proliferator-activated receptor agonist (hence a PPAR modulator ) with affinity to PPARα and PPARγ, which was under development by Hoffmann–La Roche for the treatment of type II diabetes.[1] It is no longer in phase III clinical trials.[2]

Aleglitazar
Names
Preferred IUPAC name
(2S)-2-Methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid
Other names
Ro-0728804, R-1439
Identifiers
CAS Number
3D model (JSmol)
ChEMBL
ChemSpider
DrugBank
ECHA InfoCard 100.220.523
KEGG
PubChem CID
UNII
InChI
  • InChI=1S/C24H23NO5S/c1-15-19(25-23(30-15)16-6-4-3-5-7-16)10-12-29-20-9-8-17(14-21(28-2)24(26)27)22-18(20)11-13-31-22/h3-9,11,13,21H,10,12,14H2,1-2H3,(H,26,27)/t21-/m0/s1 Y
    Key: DAYKLWSKQJBGCS-NRFANRHFSA-N Y
  • InChI=1/C24H23NO5S/c1-15-19(25-23(30-15)16-6-4-3-5-7-16)10-12-29-20-9-8-17(14-21(28-2)24(26)27)22-18(20)11-13-31-22/h3-9,11,13,21H,10,12,14H2,1-2H3,(H,26,27)/t21-/m0/s1
    Key: DAYKLWSKQJBGCS-NRFANRHFBF
SMILES
  • CC1=C(CCOc2ccc(C[C@H](OC)C(O[H])=O)c3c2C=CS3)N=C(c4ccccc4)O1
  • O=C(O)[C@@H](OC)Cc4ccc(OCCc1nc(oc1C)c2ccccc2)c3c4scc3
Properties
Chemical formula
 C24H23NO5S
Molar mass 437.51 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N verify (what is YN ?)
Infobox references

References
  1. "Statement on a nonproprietary name adopted by the USAN Council: Aleglitazar" (PDF). United States Adopted Names. American Medical Association. Retrieved 2008-08-17.
  2. "Roche halts diabetes drug trial in blow to pipeline". Roche. 2013-07-10. Retrieved 2013-07-10.


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