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BRF110

CAT: 0931-T69921-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T69921-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2095489-35-1
Target
Retinoid Receptor, NR4A, Others
Related Pathways
Endocrinology/Hormones, Metabolism, Others
Bioactivity
BRF110 is a brain penetrant, potent and selective agonist of nuclear receptor-related 1 (Nurr1) :Retinoid X receptor α (RXRα) heterodimer. BRF110 is a neuroprotective agent that prevents dopaminergic neuron demise and striatal dopaminergic denervation in vivo against PD-causing toxins. It induced dopamine biosynthesis in vivo. BRF110 chronic dosing does not induce dyskinesia in mice model.
Smiles
C(C=C)C=1C(N(C)C2=CC=C(C(O)=O)C=C2)=NC(=NC1C(F)(F)F)C3=CC=CC=C3
Molecular Formula
C22H18F3N3O2
Molecular Weight
413.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

US10946019, Example 3
CAS Number2095489-35-1
PubChem CID129051973
IUPAC Name4-[methyl-[2-phenyl-5-prop-2-enyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzoic acid
Molecular FormulaC22H18F3N3O2
Molecular Weight413.4
XLogP5.4
Topological Polar Surface Area66.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity587
SMILES
CN(C1=CC=C(C=C1)C(=O)O)C2=NC(=NC(=C2CC=C)C(F)(F)F)C3=CC=CC=C3
InChI
InChI=1S/C22H18F3N3O2/c1-3-7-17-18(22(23,24)25)26-19(14-8-5-4-6-9-14)27-20(17)28(2)16-12-10-15(11-13-16)21(29)30/h3-6,8-13H,1,7H2,2H3,(H,29,30)
InChIKey
WFLMIJKKTIOYSO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of US10946019, Example 3
CAS: 2095489-35-1
CID: 129051973
Formula: C22H18F3N3O2
MW: 413.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.4
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass413.13511131
Monoisotopic Mass413.13511131
Topological Polar Surface Area66.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity587
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
MBS5812465BRF110

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