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C 87

CAT: 1410-M26637-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M26637-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
C 87 is a small-molecule TNF-α inhibitor. C 87 directly binds to TNFα, potently inhibits TNF-α-induced cytotoxicity (IC50 = 8.73 μM), and effectively blocks TNF-α-triggered signaling activities.
CAS Number
332420-90-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
502.93
Molecular Formula
C24H15ClN6O3S
Notes
Research use only, not for human use.
Receptor
——

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...
View on PubChemRaw 3D data
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

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