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Arhalofenate

CAT: 0013-GTR19174275-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174275-02Size:5 mg
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Description
Arhalofenate (JNJ 39659100) is a selective partial PPARγ agonist developed for type 2 diabetes research. It has been investigated in both in vitro assays and in vivo models for its potential to improve glycemic control and insulin sensitization.
CAS Number
24136-23-0
Product Name Alternative
Arhalofenate, inhibit, JNJ39659100, JNJ-39659100, JNJ 39659100, Inhibitor, MBX 102, MBX102, MBX-102, PPAR-γ, PPARγ, PPAR, Peroxisome proliferator-activated receptors
Field of Research
Metabolism Research, Molecular Biology
Purity
98.97% (May vary between batches)
Solubility
DMSO:132.5 mg/mL (318.67 mM)
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
Storage Conditions
-20°C
Notes
For research use only.

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...
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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