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NP3-253

CAT: 0013-GTR19241062-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241062-02Size:50 mg
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Description
NP3-253 is a brain-penetrant, orally bioavailable NLRP3 inflammasome inhibitor. It is a valuable research tool for investigating NLRP3-driven pathology in both peripheral and central nervous system inflammation models, supporting in vivo and in vitro mechanistic studies.
CAS Number
2557349-50-3
Field of Research
Immunology & Inflammation
Smiles
CC1=C (C (O) =CC (C (F) (F) F) =C1) C2=CC=C (N[C@H]3CN (CC) CCC3) N=N2
Molecular Formula
C19H23F3N4O
Molecular Weight
380.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(R)-2-(6-((1-Ethylpiperidin-3-yl)amino)pyridazin-3-yl)-3-methyl-5-(trifluoromethyl)phenol
CAS Number2557349-50-3
PubChem CID155284649
IUPAC Name2-[6-[[(3R)-1-ethylpiperidin-3-yl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol
Molecular FormulaC19H23F3N4O
Molecular Weight380.4
XLogP3.7
Topological Polar Surface Area61.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity478
SMILES
CCN1CCC[C@H](C1)NC2=NN=C(C=C2)C3=C(C=C(C=C3C)C(F)(F)F)O
InChI
InChI=1S/C19H23F3N4O/c1-3-26-8-4-5-14(11-26)23-17-7-6-15(24-25-17)18-12(2)9-13(10-16(18)27)19(20,21)22/h6-7,9-10,14,27H,3-5,8,11H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKey
UVVZGYXCKGWWCC-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of (R)-2-(6-((1-Ethylpiperidin-3-yl)amino)pyridazin-3-yl)-3-methyl-5-(trifluoromethyl)phenol
CAS: 2557349-50-3
CID: 155284649
Formula: C19H23F3N4O
MW: 380.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.4
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass380.18239586
Monoisotopic Mass380.18239586
Topological Polar Surface Area61.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity478
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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