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NLRP3-IN-28

CAT: 0804-HY-163179Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-163179Size:1 Each
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Description
NLRP3-IN-28 (compound N77) is a potent inhibitor of NLRP3. NLRP3-IN-28 inhibits Nigericin -induced pyroptosis with an EC50 of 0.07μM. NLRP3-IN-28 alleviates the inflammatory reaction in vivo[1].
CAS Number
2922814-80-8
UNSPSC
12352005
Target
NOD-like Receptor (NLR) ; Pyroptosis
Type
Reference compound
Related Pathways
Apoptosis; Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/nlrp3-in-28.html
Solubility
10 mM in DMSO
Smiles
O=S(C1=NN=C(C2=C(O)C=C(C(F)(F)F)C=C2)C=C1)(C)=O
Molecular Formula
C12H9F3N2O3S
Molecular Weight
318.27
References & Citations
[1]Zhou N, et al. Discovery of a novel pyroptosis inhibitor acting though modulating glutathionylation to suppress NLRP3-related signal pathway. Int Immunopharmacol. 2024 Jan 25;127:111314.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Nlrp3-IN-28
CAS Number2922814-80-8
PubChem CID168157524
IUPAC Name2-(6-methylsulfonylpyridazin-3-yl)-5-(trifluoromethyl)phenol
Molecular FormulaC12H9F3N2O3S
Molecular Weight318.27
XLogP1.6
Topological Polar Surface Area88.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity463
SMILES
CS(=O)(=O)C1=NN=C(C=C1)C2=C(C=C(C=C2)C(F)(F)F)O
InChI
InChI=1S/C12H9F3N2O3S/c1-21(19,20)11-5-4-9(16-17-11)8-3-2-7(6-10(8)18)12(13,14)15/h2-6,18H,1H3
InChIKey
BZEQKTJEEFQRQK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nlrp3-IN-28
CAS: 2922814-80-8
CID: 168157524
Formula: C12H9F3N2O3S
MW: 318.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.27
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass318.02859781
Monoisotopic Mass318.02859781
Topological Polar Surface Area88.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity463
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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