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T0080

CAT: 0931-T207682-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T207682-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2785323-68-2
Target
Interleukin, Apoptosis, Reactive Oxygen Species
Related Pathways
Apoptosis, Immunology/Inflammation, NF-κB, Metabolism
Bioactivity
T0080 is an FPR-1 antagonist. It reduces apoptosis (Apoptosis) and inhibits the production of reactive oxygen species (ROS) and pro-inflammatory cytokines (TNF-α and IL-1β) in plaque macrophages within ApoE−/− mouse models, thereby slowing the progression of atherosclerosis.
Smiles
O=C1C2=NNC(C=3C=C(C=CC3O)C)=C2C(C4=CC=C(C=C4)C(F)(F)F)N1C5CCOCC5
Molecular Formula
C24H22F3N3O3
Molecular Weight
457.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(2-Hydroxy-5-methylphenyl)-5-(oxan-4-yl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CAS Number2785323-68-2
PubChem CID170943291
IUPAC Name3-(2-hydroxy-5-methylphenyl)-5-(oxan-4-yl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
Molecular FormulaC24H22F3N3O3
Molecular Weight457.4
XLogP4.2
Topological Polar Surface Area78.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity709
SMILES
CC1=CC(=C(C=C1)O)C2=NNC3=C2C(N(C3=O)C4CCOCC4)C5=CC=C(C=C5)C(F)(F)F
InChI
InChI=1S/C24H22F3N3O3/c1-13-2-7-18(31)17(12-13)20-19-21(29-28-20)23(32)30(16-8-10-33-11-9-16)22(19)14-3-5-15(6-4-14)24(25,26)27/h2-7,12,16,22,31H,8-11H2,1H3,(H,28,29)
InChIKey
NLNJUYHGBAJDBQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-Hydroxy-5-methylphenyl)-5-(oxan-4-yl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CAS: 2785323-68-2
CID: 170943291
Formula: C24H22F3N3O3
MW: 457.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.4
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass457.16132606
Monoisotopic Mass457.16132606
Topological Polar Surface Area78.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity709
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19250579-01T0080

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