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Aleglitazar

CAT: 0127-BUP04754-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP04754-02Size:5 mg
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CAS Number
475479-34-6
Synonyms
RO0728804, R1439
Purity
=98%
Smiles
C([C@@H](C(O)=O)OC)C1=C2C(=C(OCCC=3N=C(OC3C)C4=CC=CC=C4)C=C1)C=CS2

Chemical Information

Aleglitazar

Aleglitazar is an investigational drug from the company Hoffmann–La Roche and is currently in a phase III clinical trial called ALECARDIO. It is being investigated for use in patients with type II diabetes to reduce their risks of cardiovascular mortality and morbidity. Aleglitazar is an agonist at the peroxisome proliferator-activated receptor (PPAR) for both the PPARα and PPARγ receptor subtypes. In the phase II clinical trial called SYNCHRONY, with type II diabetic patients, aleglitazar was able to control both lipid and glucose levels in a synergistic manner while also having limited side effects and toxicity.

CAS Number475479-34-6
PubChem CID10274777
IUPAC Name(2S)-2-methoxy-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]propanoic acid
Molecular FormulaC24H23NO5S
Molecular Weight437.5
XLogP5.1
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity586
SMILES
CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=C4C=CSC4=C(C=C3)C[C@@H](C(=O)O)OC
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
InChIKey
DAYKLWSKQJBGCS-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of Aleglitazar
CAS: 475479-34-6
CID: 10274777
Formula: C24H23NO5S
MW: 437.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.5
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass437.12969401
Monoisotopic Mass437.12969401
Topological Polar Surface Area110 Ų
Heavy Atom Count31
Formal Charge0
Complexity586
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T14176-01Aleglitazar
A12492-25Aleglitazar 25mg
A12492-100Aleglitazar 100mg
A12492-10Aleglitazar 10mg
A12492-5Aleglitazar 5mg
A12492-1Aleglitazar 1mg
A12492-50Aleglitazar 50mg
A12492-10mM-DAleglitazar 10mM * 1mL in DMSO

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