NLRP3-IN-11 is an NLRP3 protein inhibitor. NLRP3-IN-11 is biologically active with IC50 of <0.3 μM. NLRP3-IN-11 may be utilized to study inflammatory and degenerative diseases such as NASH, atherosclerosis and other cardiovascular diseases, AD/Alzheimer's disease, PD/Parkinson's disease, diabetes, gout and many other autoinflammatory diseases.

Physicochemical Properties

Molecular Formula	C17H17CLN4O2
Molecular Weight	344.795482397079
Exact Mass	344.104
CAS #	2769040-91-5
PubChem CID	164754476
Appearance	White to off-white solid powder
LogP	2.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	24
Complexity	425
Defined Atom Stereocenter Count	0
SMILES	C1(O)=CC(Cl)=CC=C1C1=NN=C(NCC(O)(C)C)C2=CN=CC=C21
InChi Key	UDNICEVHCYUJFU-UHFFFAOYSA-N
InChi Code	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)
Chemical Name	5-chloro-2-[4-[(2-hydroxy-2-methylpropyl)amino]pyrido[3,4-d]pyridazin-1-yl]phenol
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Targets	NLRP3 <0.3 μM (IC50)
ln Vitro	In the human PBMC NLRP3 assay, NLRP3-IN-11 exhibits biological activity with an IC50 value of less than 0.3 μM[1].
References	[1]. Compounds for inhibiting NLRP3 and uses thereof. Patent. US11319319B1.

Solubility Data

Solubility (In Vitro)

DMSO: 125 mg/mL (362.53 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (6.03 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (6.03 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.08 mg/mL (6.03 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.9002 mL	14.5012 mL	29.0023 mL
	5 mM	0.5800 mL	2.9002 mL	5.8005 mL
	10 mM	0.2900 mL	1.4501 mL	2.9002 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.