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JC-171

CAT: 1410-M13356-01Size: 1 EachDry Ice: NoHazardous: No
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Description
JC-171 is a selective NLRP3 inflammasome inhibitor that inhibits LPS/ATP-induced IL-1β release from macrophages with IC50 of 8.45 uM.
CAS Number
2112809-98-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
384.831
Molecular Formula
C16H17ClN2O5S
Notes
Research use only, not for human use.
Receptor
NOD

Chemical Information

CID 134600183
CAS Number2112809-98-8
PubChem CID134600183
IUPAC Name5-chloro-N-[2-[4-(hydroxysulfamoyl)phenyl]ethyl]-2-methoxybenzamide
Molecular FormulaC16H17ClN2O5S
Molecular Weight384.8
XLogP2.3
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity531
SMILES
COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NO
InChI
InChI=1S/C16H17ClN2O5S/c1-24-15-7-4-12(17)10-14(15)16(20)18-9-8-11-2-5-13(6-3-11)25(22,23)19-21/h2-7,10,19,21H,8-9H2,1H3,(H,18,20)
InChIKey
KQRQPMUPYDOTCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 134600183
CAS: 2112809-98-8
CID: 134600183
Formula: C16H17ClN2O5S
MW: 384.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.8
XLogP32.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass384.0546705
Monoisotopic Mass384.0546705
Topological Polar Surface Area113 Ų
Heavy Atom Count25
Formal Charge0
Complexity531
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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