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BR102375

CAT: 0013-GTR19206389-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206389-02Size:50 mg
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Description
BR102375 is a non-thiazolidinedione (non-TZD) PPARγ full agonist with an EC50 of 0.28 μM. It is a research compound for investigating type 2 diabetes, used in both in vitro assays and in vivo metabolic disease models to study insulin sensitization and glucose homeostasis.
CAS Number
2366255-59-4
Field of Research
Cell Biology, Epigenetics & Chromatin, Molecular Biology
Smiles
O=C1NC (C2=C (C=CC=C2) C3=CC=C (CN4C (CCCC) =NC (C) =C (CC5=NC (C (C) (C) C) =NO5) C4=O) C=C3) =NO1
Molecular Formula
C31H34N6O4
Molecular Weight
554.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-butyl-5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-methyl-3-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}pyrimidin-4(3H)-one
CAS Number2366255-59-4
PubChem CID138911343
IUPAC Name3-[2-[4-[[2-butyl-5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methyl-6-oxopyrimidin-1-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one
Molecular FormulaC31H34N6O4
Molecular Weight554.6
XLogP5.7
Topological Polar Surface Area122
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count41
Formal Charge0
Complexity1070
SMILES
CCCCC1=NC(=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NOC(=O)N4)CC5=NC(=NO5)C(C)(C)C)C
InChI
InChI=1S/C31H34N6O4/c1-6-7-12-25-32-19(2)24(17-26-33-29(36-40-26)31(3,4)5)28(38)37(25)18-20-13-15-21(16-14-20)22-10-8-9-11-23(22)27-34-30(39)41-35-27/h8-11,13-16H,6-7,12,17-18H2,1-5H3,(H,34,35,39)
InChIKey
NFWXOLWPQYHMBW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-butyl-5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-methyl-3-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}pyrimidin-4(3H)-one
CAS: 2366255-59-4
CID: 138911343
Formula: C31H34N6O4
MW: 554.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight554.6
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass554.26415359
Monoisotopic Mass554.26415359
Topological Polar Surface Area122 Ų
Heavy Atom Count41
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T10596-01BR102375
A18849-10BR102375 10mg
A18849-50BR102375 50mg
A18849-25BR102375 25mg
A18849-100BR102375 100mg
A18849-5BR102375 5mg

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