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NLRP3i

CAT: 0013-GTR19172594-01Size: 20 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172594-01Size:20 mg
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Description
NLRP3-IN-2 is a chemical intermediate for glibenclamide synthesis that specifically inhibits NLRP3 inflammasome assembly in cardiomyocytes. It has been shown to reduce myocardial infarct size in mouse models of ischemia/reperfusion injury without affecting metabolic parameters, making it a useful research tool for studying cardiovascular inflammation.
CAS Number
16673-34-0
Product Name Alternative
JC121
Field of Research
Immunology & Inflammation, Neuroscience
Purity
>98%
Bioactivity
NLRP3 inflammasome inhibitor
Form
Powder
Solubility
Soluble in DMSO up to 45 mg/ml
Smiles
COc1ccc (Cl) cc1C (=O) NCCc1ccc (cc1) S (N) (=O) =O
Molecular Formula
C16H17ClN2O4S
Molecular Weight
368.8
Storage Conditions
RT
Notes
For research use only.
Other Product Names
4-[2- (5-Chloro-2-methoxybenzamido) ethyl]phenylsulfonamide

Chemical Information

5-chloro-2-methoxy-N-(2-(4-sulfamoylphenyl)ethyl)benzamide

an anti-inflammatory agent; structure in first source

CAS Number16673-34-0
PubChem CID85542
IUPAC Name5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.8
XLogP2.4
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity515
SMILES
COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C16H17ClN2O4S/c1-23-15-7-4-12(17)10-14(15)16(20)19-9-8-11-2-5-13(6-3-11)24(18,21)22/h2-7,10H,8-9H2,1H3,(H,19,20)(H2,18,21,22)
InChIKey
KVWWTCSJLGHLRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-chloro-2-methoxy-N-(2-(4-sulfamoylphenyl)ethyl)benzamide
CAS: 16673-34-0
CID: 85542
Formula: C16H17ClN2O4S
MW: 368.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.8
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass368.0597559
Monoisotopic Mass368.0597559
Topological Polar Surface Area107 Ų
Heavy Atom Count24
Formal Charge0
Complexity515
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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