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AVE5688

CAT: 0931-T10421-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T10421-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
613260-13-2
Target
Others, Phosphorylase
Related Pathways
Metabolism, Others
Purity
>99.99%
Bioactivity
AVE5688, an inhibitor of glycogen phosphorylase (GP), has IC50 values of 430 nM and 915 nM, and Kd values of 170 nM and 530 nM for rmGPb and rmGPa, respectively. It is suitable for research on type 2 diabetes.
Smiles
O(C(F)(F)F)C1=C(NC(NC(=O)C2=C(Cl)C=C(F)C(F)=C2)=O)C=CC(C(O)=O)=C1
Molecular Formula
C16H8ClF5N2O5
Molecular Weight
438.69
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-[3-(2-Chloro-4,5-Difluoro-Benzoyl)ureido]-3-Trifluoromethoxybenzoic Acid
CAS Number613260-13-2
PubChem CID16070039
IUPAC Name4-[(2-chloro-4,5-difluorobenzoyl)carbamoylamino]-3-(trifluoromethoxy)benzoic acid
Molecular FormulaC16H8ClF5N2O5
Molecular Weight438.69
XLogP4.5
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity637
SMILES
C1=CC(=C(C=C1C(=O)O)OC(F)(F)F)NC(=O)NC(=O)C2=CC(=C(C=C2Cl)F)F
InChI
InChI=1S/C16H8ClF5N2O5/c17-8-5-10(19)9(18)4-7(8)13(25)24-15(28)23-11-2-1-6(14(26)27)3-12(11)29-16(20,21)22/h1-5H,(H,26,27)(H2,23,24,25,28)
InChIKey
NWQGDIBCFLDHDO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[3-(2-Chloro-4,5-Difluoro-Benzoyl)ureido]-3-Trifluoromethoxybenzoic Acid
CAS: 613260-13-2
CID: 16070039
Formula: C16H8ClF5N2O5
MW: 438.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.69
XLogP34.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass438.0041899
Monoisotopic Mass438.0041899
Topological Polar Surface Area105 Ų
Heavy Atom Count29
Formal Charge0
Complexity637
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
MBS5766106AVE5688
A12446-25AVE5688 25mg
A12446-100AVE5688 100mg
A12446-50AVE5688 50mg
A12446-10AVE5688 10mg
A12446-5AVE5688 5mg
A12446-1AVE5688 1mg
A12446-10mM-DAVE5688 10mM * 1mL in DMSO

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