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R-7050

CAT: 0013-GTR19160246-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160246-02Size:2 mg
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Description
R-7050 is a TNF-α receptor antagonist. It acts by blocking receptor-adaptor molecule complex formation and subsequent receptor internalization, but not TNF-α ligand-receptor binding. (In Vitro) :R-7050 (TNF-α Antagonist III) is a potent and fully reversible hit with greater selectivity toward TNFα. In TNFα-induced intercellular adhesion molecule 1 (ICAM-1) expression, R-7050 inhibition potency (EC50=0.63 μM) is 2- to 3-fold greater than EC50 for IL-1β-induced ICAM-1 expression (EC50=1.45 2 μM) . R-7050 inhibits phosphorylation of both the JNK pathway (MKK4, JNKs, and ATF2) and p38 pathway (MKK3/6, p38, and MAPKAP2) . R-7050 is a cell-permeable triazoloquinoxaline compound that selectively inhibits TNF-α induced cellular signaling. Unlike biologic TNF inhibitors (e.g. Infliximab, Etanercept, Adalimumab) that directly bind TNF-α and function as decoy receptors, R-7050 does not affect binding of TNF-α to TNFR. In contrast, R-7050 selectively inhibits the association of TNFR with intracellular adaptor molecules (e.g. TRADD, RIP), limits receptor internalization, and prevents subsequent cellular responses after TNF-α binding. (In Vivo) :R-7050 (TNF-α Antagonist III) (6 mg/kg) reduces Evans blue extravasation to 28.7±5.9 μg and 30.3±1.9 μg Evans blue/g brain tissue when administered at 0.5 h or 2 h post-ICH, respectively (p<0.05 and p<0.01 vs ICH, respectively; not significantly different from sham) . Brain water content, a measure of brain edema, increases from 75.6±0.3% in sham-operated mice to 81.5±0.5% at 24h post-ICH (p<0.05 vs. sham) . 6, 12, or 18 mg/kg R-7050 reduces brain water content to 78.5±0.3%, 78.3±0.3%, or 79.3±0.5%, respectively (all treatments p<0.05 vs. ICH; treatments not significantly different from each other) . Notably, mice treated with 18 mg/kg exhibit a reduction in general activity/locomotion. As is observed with Evans blue extravasation, R-7050 (6 mg/kg) significantly reduces brain water content after ICH. Administration of R-7050 at 0.5h or 2h post-ICH attenuates brain water content to levels observed in sham-operated mice (p<0.05 vs ICH, not significantly different from sham) .
CAS Number
303997-35-5
Product Name Alternative
R-7050 | R 7050 | R7050 | TNF-α Antagonist III
Purity
>98% (HPLC)
Solubility
DMSO : 25 mg/mL 65.66 mM
Smiles
FC (F) (F) c3nnc2c (nc1ccc (Cl) cc1n23) Sc4ccccc4
Molecular Formula
C16H8ClF3N4S
Molecular Weight
380.77
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
8-Chloro-4- (phenylthio) -1- (trifluoromethyl) -[1,2,4]triazolo[4,3-a]quinoxaline

Chemical Information

8-Chloro-4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CAS Number303997-35-5
PubChem CID1486608
IUPAC Name8-chloro-4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
Molecular FormulaC16H8ClF3N4S
Molecular Weight380.8
XLogP5.5
Topological Polar Surface Area68.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity477
SMILES
C1=CC=C(C=C1)SC2=NC3=C(C=C(C=C3)Cl)N4C2=NN=C4C(F)(F)F
InChI
InChI=1S/C16H8ClF3N4S/c17-9-6-7-11-12(8-9)24-13(22-23-15(24)16(18,19)20)14(21-11)25-10-4-2-1-3-5-10/h1-8H
InChIKey
SUUMKHOVGVYGOP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Chloro-4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CAS: 303997-35-5
CID: 1486608
Formula: C16H8ClF3N4S
MW: 380.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight380.8
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass380.0110296
Monoisotopic Mass380.0110296
Topological Polar Surface Area68.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity477
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