Products for Research Use Only

C 87

CAT: 0013-GTR19175077-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19175077-01Size:50 mg
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Description
C 87 is a small molecule that directly inhibits TNF-α by binding to it, blocking TNF-α-induced cytotoxicity (IC50 = 8.73 μM) and downstream signaling. It is a useful research tool for studying TNF-α-mediated inflammatory and autoimmune pathways in both cellular and animal models.
CAS Number
332420-90-3
Product Name Alternative
Inhibitor, inhibit, C 87, C87, C-87, TNF Receptor, TNFR, TNFα-induced cytotoxicity, TNF-α, Tumor Necrosis Factor Receptor
Field of Research
Cell Biology
Purity
≥98% (May vary between batches)
Solubility
DMSO:5.06 mg/mL (10.06 mM)
Smiles
[O-][N+] (=O) c1cc (N\N=C2\C (=O) N (N=C2c2ccccc2) c2nc (cs2) -c2ccccc2) ccc1Cl
Molecular Formula
C24H15ClN6O3S
Molecular Weight
502.93
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

TNFalpha-IN-C87
CAS Number332420-90-3
PubChem CID4016403
IUPAC Name4-[(4-chloro-3-nitrophenyl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
Molecular FormulaC24H15ClN6O3S
Molecular Weight502.9
XLogP6.6
Topological Polar Surface Area144
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity855
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(=C(N3)C4=CC=CC=C4)N=NC5=CC(=C(C=C5)Cl)[N+](=O)[O-]
InChI
InChI=1S/C24H15ClN6O3S/c25-18-12-11-17(13-20(18)31(33)34)27-28-22-21(16-9-5-2-6-10-16)29-30(23(22)32)24-26-19(14-35-24)15-7-3-1-4-8-15/h1-14,29H
InChIKey
HTEQQWJUYYUNQG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TNFalpha-IN-C87
CAS: 332420-90-3
CID: 4016403
Formula: C24H15ClN6O3S
MW: 502.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight502.9
XLogP36.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass502.0614872
Monoisotopic Mass502.0614872
Topological Polar Surface Area144 Ų
Heavy Atom Count35
Formal Charge0
Complexity855
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