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NPBA

CAT: 0013-GTR19232642-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232642-01Size:1 mg
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Description
NPBA is a dual-function small molecule that acts as a TASK-3 (KCNK9) channel agonist and a TWIK2 channel blocker. This activity enables it to potently suppress NLRP3 inflammasome activation in macrophages, making it a valuable research tool for studying inflammation and potassium channel biology in both cellular and animal models.
CAS Number
524033-40-7
Field of Research
Pharmacology & Drug Discovery
Purity
99.90% (May vary between batches)
Smiles
O=C (C1=CC=CC=C1) NCCNC2=CC=C ([N+] ([O-]) =O) C=C2C (F) (F) F
Molecular Formula
C16H14F3N3O3
Molecular Weight
353.30
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(2-((4-nitro-2-(trifluoromethyl)phenyl)amino)ethyl)benzamide
CAS Number524033-40-7
PubChem CID2930995
IUPAC NameN-[2-[4-nitro-2-(trifluoromethyl)anilino]ethyl]benzamide
Molecular FormulaC16H14F3N3O3
Molecular Weight353.30
XLogP3.6
Topological Polar Surface Area87
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity462
SMILES
C1=CC=C(C=C1)C(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C16H14F3N3O3/c17-16(18,19)13-10-12(22(24)25)6-7-14(13)20-8-9-21-15(23)11-4-2-1-3-5-11/h1-7,10,20H,8-9H2,(H,21,23)
InChIKey
LUJDPMMSYZQCHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-((4-nitro-2-(trifluoromethyl)phenyl)amino)ethyl)benzamide
CAS: 524033-40-7
CID: 2930995
Formula: C16H14F3N3O3
MW: 353.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.30
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass353.09872580
Monoisotopic Mass353.09872580
Topological Polar Surface Area87 Ų
Heavy Atom Count25
Formal Charge0
Complexity462
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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