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R-7050

CAT: 0804-HY-110203-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-110203-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
R-7050 (TNF-α Antagonist III) is a tumor necrosis factor receptor (TNFR) antagonist with greater selectivity toward TNFα.
CAS Number
303997-35-5
Product Name Alternative
TNF-α Antagonist III
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
TNF Receptor
Type
Reference compound
Related Pathways
Apoptosis
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/R-7050.html
Purity
99.96
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
FC(F)(C1=NN=C2N1C3=CC(Cl)=CC=C3N=C2SC4=CC=CC=C4)F
Molecular Formula
C16H8ClF3N4S
Molecular Weight
380.77
Precautions
H302, H315, H319, H335
References & Citations
[1]Gururaja TL, et al. A class of small molecules that inhibit TNFalpha-induced survival and death pathways viaprevention of interactions between TNFalphaRI, TRADD, and RIP1. Chem Biol. 2007 Oct;14 (10) :1105-18.|[2]King MD, et al. TNF-alpha receptor antagonist, R-7050, improves neurological outcomes following intracerebralhemorrhage in mice. Neurosci Lett. 2013 May 10;542:92-6.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
TNFRSF5/CD40

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...
View on PubChemRaw 3D data
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

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