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NLRP3/AIM2-IN-3

CAT: 0931-T60442-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T60442-01Size:5 mg
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CAS Number
1787787-60-3
Target
NOD, Pyroptosis, NOD-like Receptor (NLR), AIM2
Related Pathways
Immunology/Inflammation, NF-κB, Apoptosis
Purity
0.9716
Bioactivity
NLRP3/AIM2-IN-3 is a unique molecule that inhibits NLRP3 and AIM2 inflammasome activation in a species-specific manner. It has an IC50 value for cell lysis of 0.077 ± 0.008 μ M. NLRP3/AIM2-IN-3 is a potent inhibitor of NLRP3 and AIM2 inflammasome-dependent cell lysis with an IC50 value for cell lysis of 0.077 ± 0.008 μ M. NLRP3/AIM2-IN-3 inhibits LPS/nigericin NLRP3/AIM2-IN-3 inhibits LPS/nigericin-stimulated cell lysis in THP-1 macrophages with an IC50 value of 0.077 ± 0.008 μM. NLRP3/AIM2-IN-3 interferes with the interaction of NLRP3 or AIM2 with the bridging protein ASC, inhibiting oligomerization of ASC.
Smiles
Oc1cccc(NC(=O)Cc2ccc3cc[nH]c3c2)c1
Molecular Formula
C16H14N2O2
Molecular Weight
266.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nlrp3/aim2-IN-3
CAS Number1787787-60-3
PubChem CID84577685
IUPAC NameN-(3-hydroxyphenyl)-2-(1H-indol-6-yl)acetamide
Molecular FormulaC16H14N2O2
Molecular Weight266.29
XLogP2.5
Topological Polar Surface Area65.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity347
SMILES
C1=CC(=CC(=C1)O)NC(=O)CC2=CC3=C(C=C2)C=CN3
InChI
InChI=1S/C16H14N2O2/c19-14-3-1-2-13(10-14)18-16(20)9-11-4-5-12-6-7-17-15(12)8-11/h1-8,10,17,19H,9H2,(H,18,20)
InChIKey
UOBOMCZZCHPHBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nlrp3/aim2-IN-3
CAS: 1787787-60-3
CID: 84577685
Formula: C16H14N2O2
MW: 266.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight266.29
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass266.105527694
Monoisotopic Mass266.105527694
Topological Polar Surface Area65.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity347
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