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Arhalofenate

CAT: 0931-T16022-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T16022-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
24136-23-0
Target
PPAR
Related Pathways
DNA Damage/DNA Repair, Metabolism
Purity
0.9962
Bioactivity
Arhalofenate (JNJ 39659100) is a selective partial agonist of peroxisome proliferator-activated receptor PPARγ. It is used for the treatment of type 2 diabetes.
Smiles
[C@H](OC1=CC(C(F)(F)F)=CC=C1)(C(OCCNC(C)=O)=O)C2=CC=C(Cl)C=C2
Molecular Formula
C19H17ClF3NO4
Molecular Weight
415.79
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Arhalofenate

Arhalofenate has been investigated for the treatment of Gout and Hyperuricemia.

CAS Number24136-23-0
PubChem CID12082259
IUPAC Name2-acetamidoethyl (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate
Molecular FormulaC19H17ClF3NO4
Molecular Weight415.8
XLogP4.3
Topological Polar Surface Area64.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity524
SMILES
CC(=O)NCCOC(=O)[C@@H](C1=CC=C(C=C1)Cl)OC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C19H17ClF3NO4/c1-12(25)24-9-10-27-18(26)17(13-5-7-15(20)8-6-13)28-16-4-2-3-14(11-16)19(21,22)23/h2-8,11,17H,9-10H2,1H3,(H,24,25)/t17-/m1/s1
InChIKey
BJBCSGQLZQGGIQ-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of Arhalofenate
CAS: 24136-23-0
CID: 12082259
Formula: C19H17ClF3NO4
MW: 415.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.8
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass415.0798202
Monoisotopic Mass415.0798202
Topological Polar Surface Area64.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity524
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

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HY-14831-01Arhalofenate
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A21135-500Arhalofenate 500mg
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A21135-1Arhalofenate 1mg
A21135-100Arhalofenate 100mg
A21135-25Arhalofenate 25mg
A21135-10Arhalofenate 10mg
A21135-50Arhalofenate 50mg
A21135-10mM-DArhalofenate 10mM * 1mL in DMSO

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