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Azemiglitazone (MSDC-0602)

CAT: 1568-C12701-25mgSize: 25 mgDry Ice: YesHazardous: No
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CAT#:1568-C12701-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1133819-87-0
Target
Mitochondrial pyruvate carrier
Applications
Metabolism
Smiles
COC1=CC=CC (=C1) C (=O) COC2=CC=C (CC3SC (=O) NC3=O) C=C2
Molecular Formula
C19H17NO5S
Additionnal Information
Azemiglitazone (MSDC-0602) is a direct mitochondrial pyruvate carrier (MPC) inhibitor that modulates central carbon metabolism in mice and humans.
Storage Conditions
2 years -80 in solvent

Chemical Information

Azemiglitazone

Azemiglitazone is under investigation in clinical trial NCT01280695 (A Randomized, Double-blind, Comparator- and Placebo-controlled, Multiple-dose Study to Evaluate the Safety, Tolerability and Efficacy of Three Dose Levels of MSDC-0602 in Type 2 Diabetic Patients).

CAS Number1133819-87-0
PubChem CID25230266
IUPAC Name5-[[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Molecular FormulaC19H17NO5S
Molecular Weight371.4
XLogP3.4
Topological Polar Surface Area107
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity532
SMILES
COC1=CC=CC(=C1)C(=O)COC2=CC=C(C=C2)CC3C(=O)NC(=O)S3
InChI
InChI=1S/C19H17NO5S/c1-24-15-4-2-3-13(10-15)16(21)11-25-14-7-5-12(6-8-14)9-17-18(22)20-19(23)26-17/h2-8,10,17H,9,11H2,1H3,(H,20,22,23)
InChIKey
YAUMOGALQJYOJQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azemiglitazone
CAS: 1133819-87-0
CID: 25230266
Formula: C19H17NO5S
MW: 371.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight371.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass371.08274382
Monoisotopic Mass371.08274382
Topological Polar Surface Area107 Ų
Heavy Atom Count26
Formal Charge0
Complexity532
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes