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Arhalofenate

CAT: 0804-HY-14831-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-14831-02Size:5 mg
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Description
Arhalofenate (MBX 102) is a selective partial agonist of peroxisome proliferator-activated receptor (PPAR) -γ, used for the treatment of type 2 diabetes.
CAS Number
24136-23-0
Product Name Alternative
MBX 102; JNJ 39659100
UNSPSC
12352005
Hazard Statement
H301-H319-H410
Target
PPAR
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Metabolic Enzyme/Protease; Vitamin D Related/Nuclear Receptor
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/MBX_102.html
Purity
99.85
Solubility
10 mM in DMSO
Smiles
O=C(OCCNC(C)=O)[C@@H](C1=CC=C(Cl)C=C1)OC2=CC=CC(C(F)(F)F)=C2
Molecular Formula
C19H17ClF3NO4
Molecular Weight
415.79
Precautions
P264-P270-P273-P280-P305+P351+P338-P330-P391-P405-P501
References & Citations
[1]Gregoire FM, et al. MBX-102/JNJ39659100, a novel peroxisome proliferator-activated receptor-ligand with weak transactivation activity retains antidiabetic properties in the absence of weight gain and edema. Mol Endocrinol. 2009 Jul;23 (7) :975-88.|[2]Chandalia A, et al. MBX-102/JNJ39659100, a novel non-TZD selective partial PPAR-γ agonist lowers triglyceride independently of PPAR-α activation. PPAR Res. 2009;2009:706852.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 3
Isoform
PPARγ

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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