| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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YQ128 (YQ-128 ) is a novel, potent, selective and second-generation inhibitor of NOD-like receptor P3 (NLRP3) inflammasome (IC50= 0.30 µM) with anti-inflammatory activity. It acts by suppressing IL-1β production, and is BBB/CNS penetrant.
| ln Vitro |
At an IC50 of 1.59 µM, YQ128 (0.3-100 µM; 30 minutes) dose-dependently inhibits the release of IL-1β from peritoneal macrophages after an LPS/ATP challenge [1]. YQ128 (20 µM; 2 hours) does not appear to be toxic to hCMEC/D3 cells [1].
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|---|---|
| ln Vivo |
YQ128 (iv; 20 mg/kg) has an intermediate terminal plasma half-life (t1/2) of 6.6 hours following intravenous administration [1]. With a tmax of 12 hours and a cmax of 73 ng/mL, respectively, YQ128 (oral; 20 mg/kg) demonstrated delayed gastrointestinal absorption. The estimated oral bioavailability (Foral) is 10% [1]. With a rapid total clearance (CLtot) of 41 mL/min/kg and a steady-state volume of distribution (Vdss) of 8.5 L/kg, YQ128 demonstrates a wide extravascular distribution[1]. It has been demonstrated that YQ128 (10 mg/kg) in C57BL/6 mice induces the production of IL-1β in an NLRP3-dependent manner [1].
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| Cell Assay |
Cell viability assay [1]
Cell Types: mouse peritoneal macrophages Tested Concentrations: 0.3, 1.0, 3.0, 10, 30, 100 µM Incubation Duration: 30 minutes Experimental Results: Inhibition of IL- release from peritoneal macrophages after LPS/ATP challenge 1β IC50 is 1.59 µM. |
| Animal Protocol |
Animal/Disease Models: SD (SD (Sprague-Dawley)) rat (200-250 g) [1]
Doses: 20 mg/kg (pharmacokinetic/PK/PK analysis) Route of Administration: intravenous (iv) (iv)injection Experimental Results: After intravenous (iv) (iv)administration, the intermediate terminal plasma half-life ( t1/2) is 6.6 hrs (hrs (hours)). |
| References |
| Molecular Formula |
C27H29CLN2O4S2
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|---|---|
| Molecular Weight |
545.109
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| Exact Mass |
544.125
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| Elemental Analysis |
C, 59.49; H, 5.36; Cl, 6.50; N, 5.14; O, 11.74; S, 11.76
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| CAS # |
2454246-18-3
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| PubChem CID |
139600339
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
705.8±70.0 °C at 760 mmHg
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| Flash Point |
380.6±35.7 °C
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| Vapour Pressure |
0.0±2.2 mmHg at 25°C
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| Index of Refraction |
1.606
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| LogP |
5.47
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
13
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| Heavy Atom Count |
36
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| Complexity |
832
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C=CC(=C(C=1)CN(C(CC1=CSC=C1)=O)CCC1C=CC(=CC=1)S(NCC#C)(=O)=O)OCCC
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| InChi Key |
SFPYRFRNYALLHS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C27H29ClN2O4S2/c1-3-13-29-36(32,33)25-8-5-21(6-9-25)11-14-30(27(31)17-22-12-16-35-20-22)19-23-18-24(28)7-10-26(23)34-15-4-2/h1,5-10,12,16,18,20,29H,4,11,13-15,17,19H2,2H3
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| Chemical Name |
N-(5-chloro-2-propoxybenzyl)-N-(4-(N-(prop-2-yn-1-yl)sulfamoyl)phenethyl)-2-(thiophen-3-yl)acetamide
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| Synonyms |
YQ-128YQ128 YQ 128
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~250 mg/mL (~458.62 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.82 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 (3.82 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 | 1.8345 mL | 9.1725 mL | 18.3449 mL | |
| 5 mM | 0.3669 mL | 1.8345 mL | 3.6690 mL | |
| 10 mM | 0.1834 mL | 0.9172 mL | 1.8345 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.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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