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NLRP3-IN-11

CAT: 0804-HY-148187-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-148187-01Size:5 mg
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Description
NLRP3-IN-11 is a NLR family pyrin domain containing 3 (NLRP3) proteins inhibitor. NLRP3-IN-11 has biological activity for NLRP3 with an IC50 value of [1].
CAS Number
2769040-91-5
UNSPSC
12352005
Target
NOD-like Receptor (NLR)
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Infection; Inflammation/Immunology; Neurological Disease; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/nlrp3-in-11.html
Purity
98.79
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
ClC1=CC=C(C2=C3C=CN=CC3=C(NCC(C)(C)O)N=N2)C(O)=C1
Molecular Formula
C17H17ClN4O2
Molecular Weight
344.80
References & Citations
[1] HY-W048205, et al. Compounds for inhibiting NLRP3 and uses thereof. Patent. US11319319B1.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
NLRP3

Chemical Information

Nlrp3-IN-11
CAS Number2769040-91-5
PubChem CID164754476
IUPAC Name5-chloro-2-[4-[(2-hydroxy-2-methylpropyl)amino]pyrido[3,4-d]pyridazin-1-yl]phenol
Molecular FormulaC17H17ClN4O2
Molecular Weight344.8
XLogP2.2
Topological Polar Surface Area91.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity425
SMILES
CC(C)(CNC1=NN=C(C2=C1C=NC=C2)C3=C(C=C(C=C3)Cl)O)O
InChI
InChI=1S/C17H17ClN4O2/c1-17(2,24)9-20-16-13-8-19-6-5-11(13)15(21-22-16)12-4-3-10(18)7-14(12)23/h3-8,23-24H,9H2,1-2H3,(H,20,22)
InChIKey
UDNICEVHCYUJFU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nlrp3-IN-11
CAS: 2769040-91-5
CID: 164754476
Formula: C17H17ClN4O2
MW: 344.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.8
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass344.1040035
Monoisotopic Mass344.1040035
Topological Polar Surface Area91.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity425
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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