| 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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| 500mg |
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| 1g |
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| Other Sizes |
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Purity: ≥98%
WS-3 (WS3; WS 3) is a novel and potent small molecule modulator of the IkappaB (IkappaB) kinase and the Erb3 binding protein-1 (EBP1) with significant biological activity. With an EC50 of 28 nM (induced R7T1 proliferation), it encourages β-cell proliferation. With EC50 values of 2.2 and 120.6 μM, respectively, WS 3 activated hTRPM8 and hTRPA1 in HEK cells that had been transiently expressing either hTRPM8 or hTRPA1. Effective at producing a cooling sensation was WS 3.
| Targets |
EBP1; IκB kinase
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| ln Vitro |
WS3 induces pancreatic R7T1 β cell proliferation in dose response, with an EC50 value of 0.28 μM[1].
Primary retinal pigment epithelial (RPE) cells isolated from fetal and adult human donors WS3 (1.0 nM-1.0 µM) reversibly proliferate. The expression of mature RPE genes and the phagocytosis of photoreceptor outer segments show that RPE cells differentiate into a functional monolayer after the removal of WS3[2]. |
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| ln Vivo |
R7T1 cells are plated into 384-well plates with a density of 3,000 cells/well in growth medium after being growth-arrested for two days by the absence of doxycycline. After 4 days, CellTiter Glo is used to evaluate the proliferation of the cells. By comparing the median of DMSO-treated wells to those that received compound treatment, the fold increase in cell number is calculated.
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| Cell Assay |
R7T1 cells are growth-arrested by removal of doxycycline for 2 days and plated into 384-well plates at a density of 3,000 cells/well in growth medium. Β cell proliferation is assessed using CellTiter Glo after 4 days. Fold increase in cell number is calculated by normalizing compound-treated wells to the median of DMSO-treated wells.
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| Animal Protocol |
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| References |
| Molecular Formula |
C28H30F3N7O3
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|---|---|---|
| Molecular Weight |
569.58
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| Exact Mass |
569.236
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| Elemental Analysis |
C, 59.04; H, 5.31; F, 10.01; N, 17.21; O, 8.43
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| CAS # |
1421227-52-2
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| Related CAS # |
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| PubChem CID |
72551586
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| Appearance |
Light yellow solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
632.9±55.0 °C at 760 mmHg
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| Flash Point |
336.6±31.5 °C
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| Vapour Pressure |
0.0±1.9 mmHg at 25°C
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| Index of Refraction |
1.657
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| LogP |
4.37
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
41
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| Complexity |
877
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| Defined Atom Stereocenter Count |
0
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| SMILES |
FC(C1C([H])=C(C([H])=C([H])C=1C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])N([H])C(N([H])C1C([H])=C([H])C(=C([H])C=1[H])OC1C([H])=C(N=C([H])N=1)N([H])C(C1([H])C([H])([H])C1([H])[H])=O)=O)(F)F
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| InChi Key |
KIKOYRNAERIVSJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C28H30F3N7O3/c1-37-10-12-38(13-11-37)16-19-4-5-21(14-23(19)28(29,30)31)35-27(40)34-20-6-8-22(9-7-20)41-25-15-24(32-17-33-25)36-26(39)18-2-3-18/h4-9,14-15,17-18H,2-3,10-13,16H2,1H3,(H2,34,35,40)(H,32,33,36,39)
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| Chemical Name |
N-[6-[4-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide
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| Synonyms |
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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 |
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| 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) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: 3.33 mg/mL (5.85 mM) in 50% PEG300 +50% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.7557 mL | 8.7784 mL | 17.5568 mL | |
| 5 mM | 0.3511 mL | 1.7557 mL | 3.5114 mL | |
| 10 mM | 0.1756 mL | 0.8778 mL | 1.7557 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.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT05932693 | Not yet recruiting | Other: E-liquid coolant (WS-3, 0.1%) Other: E-liquid coolant (WS-3, 0.25%) |
E-Cig Use | Yale University | September 2023 | Not Applicable |
| NCT05932745 | Not yet recruiting | Other: E-liquid coolant (no WS-3) Other: E-liquid coolant (Low WS-3) |
Nicotine Use Disorder | Yale University | September 2023 | Not Applicable |
| NCT03129282 | Completed | Other: Home-based Metacognitive Therapy (Home-MCT) |
Depression Anxiety |
University of Manchester | April 4, 2017 | Not Applicable |
| NCT03999359 | Terminated | Other: Home-based Metacognitive Therapy |
Depression Anxiety |
University of Manchester | May 14, 2019 | Not Applicable |
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