Products for Research Use Only
RegisterLogin

NLRP3-IN-4

CAT: 0804-HY-132892Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-132892Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
NLRP3-IN-4 is potent and orally active NLRP3 inflammasome inhibitor with inflammatory activity for colitis.
CAS Number
2758595-77-4
UNSPSC
12352005
Target
NOD-like Receptor (NLR)
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/nlrp3-in-4.html
Solubility
10 mM in DMSO
Smiles
COC1=CC(OC)=CC(/C=C/C2=CC=C(C=C2)NC(C3CC3)=O)=C1/C=C/[N+]([O-])=O
Molecular Formula
C22H22N2O5
Molecular Weight
394.42
References & Citations
[1]Chen LZ, et al. Discovery of Novel Pterostilbene-Based Derivatives as Potent and Orally Active NLRP3 Inflammasome Inhibitors with Inflammatory Activity for Colitis. J Med Chem. 2021 Sep 23;64 (18) :13633-13657.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
NLRP3

Chemical Information

Nlrp3-IN-4
CAS Number2758595-77-4
PubChem CID162640911
IUPAC NameN-[4-[(E)-2-[3,5-dimethoxy-2-[(E)-2-nitroethenyl]phenyl]ethenyl]phenyl]cyclopropanecarboxamide
Molecular FormulaC22H22N2O5
Molecular Weight394.4
XLogP4
Topological Polar Surface Area93.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity617
SMILES
COC1=CC(=C(C(=C1)OC)/C=C/[N+](=O)[O-])/C=C/C2=CC=C(C=C2)NC(=O)C3CC3
InChI
InChI=1S/C22H22N2O5/c1-28-19-13-17(20(11-12-24(26)27)21(14-19)29-2)6-3-15-4-9-18(10-5-15)23-22(25)16-7-8-16/h3-6,9-14,16H,7-8H2,1-2H3,(H,23,25)/b6-3+,12-11+
InChIKey
RGZUNRLNIINAOD-NMHALSJOSA-N
Chemical Structure
2D Structure
2D structure of Nlrp3-IN-4
CAS: 2758595-77-4
CID: 162640911
Formula: C22H22N2O5
MW: 394.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.4
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass394.15287181
Monoisotopic Mass394.15287181
Topological Polar Surface Area93.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity617
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-172788NLRP3-IN-78
HY-172102NLRP3-IN-68
HY-171820-01NLRP3-IN-80
HY-170233NLRP3-IN-75
HY-162901NLRP3-IN-48
HY-159719NLRP3-IN-51
HY-156469NLRP3-IN-22
HY-163300NLRP3-IN-30
HY-158111NLRP3-IN-34
HY-153261-01NLRP3-IN-17

Alternative Products

CatalogName
MBS5804522NLRP3-IN-4
QY-E06005Human NLRP3 Inflammasome (NLRP3)
MBS8534011-01NLRP3
TMAB-01246-01Anti-NLRP3 Polyclonal Antibody 4
BA6124-10NLRP3-IN-17

Popular Products