WDR5-IN-5
Based on 1 Customer Validation
WDR5-IN-5 is an orally active and selective inhibitor of WIN site of WD repeat domain 5 (WDR5). WDR5-IN-5 exhibits anti-proliferative activity towards cancer cells and good pharmacokinetics profile in mice. WDR5-IN-5 shows high affinity to WDR5 and the binding affinity Ki value <0.02 nM.
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- Pureté: 99.56%
- CAS No.: 2417012-26-9
- Formule: C29H29F3N6O
- Masse moléculaire:534.58
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Stockage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Activité biologique
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Chemical Information
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Solvant et solubilité
- Pureté et documentation
- Références
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Help & FAQs
Activité biologique
Target: WIN site of WD repeat domain 5 (WDR5)[1]
WDR5 plays an important role in the activity of MLL1 histone methyltransferase (HMT) complexes. WDR5-IN-5 (compound 41), as a WDR5 inhibitor, will exihibits inhibitory effect towards HMT[1].
WDR5-IN-5 displays average soluble concentrations (kinetic solubility) of 60 μM[1].
WDR5-IN-5 exhibits high selectivity between K562 cells and MV4:11, the selectivity index (GI50, K562/GI50, MV4:11) is 290[1].
WDR5-IN-5 (0-30 μM; 5 d) inhibits cell proliferation of MV4:11, MOLM-13, and K562 with GI50 values are 13, 27, 3700 nM, respectively[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:MV4:11, MOLM-13 cells
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Concentration:0-30 μM
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Incubation Time:5 days
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Result:Inhibited cell growth of MV4:11, MOLM-13, and showed on- and off-target inhibition mechanism.
WDR5-IN-5 (3 mg/kg; i.v.) also shows low iv clearance (26 mL/min/kg). WDR5-IN-5 is well tolerated and shows no adverse effects in mice by both i.v. and p.o. dosing[1].
WDR5-IN-5 can be formulated as 0.6 and 1 mg/mL solutions in ethanol, tocopherol poly (ethylene glycol) succinate (TPGS), PEG400 and water (v/v/v/v, 5/5/30/60) for i.v. and p.o. dosing, respectively[1].
PK profile of WDR5-IN-5 in CD-1 Mice[1]
| Route | Dose (mg/kg) | CL (mL/min/kg) | AUC0,inf (h.ng/mL) | Vss (L/kg) | T1/2 (h) | F (%) |
| i.v. | 3 | 26 | 1951 | 1.6 | / | / |
| p.o. | 10 | 2083 | 3984 | / | 1.3 | 61 |
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:Male CD-1 mice[1]
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Dosage:3 mg/kg i.v.; 10 mg/kg p.o.
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Administration:Intravenous injection or oral gavage
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Result:Showed high oral exposure (AUC0,inf=3984 h.ng/mL), long half-life of T1/2=1.3 h, and low iv clearance (26 mL/min/kg).
Chemical Information
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CAS No. 2417012-26-9
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Appearance Solid
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Masse moléculaire 534.58
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Formule C29H29F3N6O
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Color White to light yellow
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SMILES
O=C1N([C@@H](C2CC2)C3=NC=CC(C)=C3)CCC4=C1C=C(CN5C=CN=C5)C=C4C6=CN(CC)N=C6C(F)(F)F
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Livraison
Room temperature in continental US; may vary elsewhere.
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Stockage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Solvant et solubilité
DMSO : 50 mg/mL (93.53 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 1.25 mg/mL (2.34 mM); Clear solution
This protocol yields a clear solution of ≥ 1.25 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (12.5 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%Saline +
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL.
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Pureté et documentation
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Fiche technique (289 KB)
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SDS (254 KB)
- English - EN (254 KB)
- Français - FR (254 KB)
- Deutsch - DE (254 KB)
- Norwegian - NO (254 KB)
- Español - ES (254 KB)
- Swedish - SV (254 KB)
- Italian - IT (254 KB)
- Korean - KR (254 KB)
- Portuguese - PT (254 KB)
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Instruction de manipulation (2659 KB)
Références
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
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| DMSO | 1 mM | 1.8706 mL | 9.3531 mL | 18.7063 mL | 46.7657 mL |
| 5 mM | 0.3741 mL | 1.8706 mL | 3.7413 mL | 9.3531 mL | |
| 10 mM | 0.1871 mL | 0.9353 mL | 1.8706 mL | 4.6766 mL | |
| 15 mM | 0.1247 mL | 0.6235 mL | 1.2471 mL | 3.1177 mL | |
| 20 mM | 0.0935 mL | 0.4677 mL | 0.9353 mL | 2.3383 mL | |
| 25 mM | 0.0748 mL | 0.3741 mL | 0.7483 mL | 1.8706 mL | |
| 30 mM | 0.0624 mL | 0.3118 mL | 0.6235 mL | 1.5589 mL | |
| 40 mM | 0.0468 mL | 0.2338 mL | 0.4677 mL | 1.1691 mL | |
| 50 mM | 0.0374 mL | 0.1871 mL | 0.3741 mL | 0.9353 mL | |
| 60 mM | 0.0312 mL | 0.1559 mL | 0.3118 mL | 0.7794 mL | |
| 80 mM | 0.0234 mL | 0.1169 mL | 0.2338 mL | 0.5846 mL |
WDR5-IN-5 Related Classifications
HY-150654 Related Classifications
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