| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| ln Vitro |
WDR5 is crucial for the MLL1 histone methyltransferase (HMT) complex's function. Compound 41, also known as WDR5-IN-5, is a WDR5 inhibitor that inhibits HMT [1]. The average soluble concentration (kinetic solubility) for WDR5-IN-5 is 60 μM [1]. With a selectivity index (GI50, K562/GI50, MV4:11) of 290, WDR5-IN-5 demonstrates strong selectivity between K562 cells and MV4:11 [1]. The cell proliferation of MV4:11, MOLM-13, and K562 is inhibited by WDR5-IN-5 (0-30 μM; 5 d), with GI50 values of 13, 27, and 3700 nM, respectively [1].
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| ln Vivo |
WDR5-IN-5 (compound 41) (10 mg/kg; oral) shows high oral exposure (AUC0, inf=3984 h.ng/mL) and long half-life T1/2=1.3 h [1]. WDR5-IN-5 (3 mg/kg; iv) also showed lower iv clearance (26 mL/min/kg). WDR5-IN-5 was well tolerated and showed no adverse effects in mice via both intravenous and oral administration [1]. WDR5-IN-5 is available in 0.6 and 1 mg/mL solutions in ethanol, tocopherol polyethylene glycol succinate (TPGS), PEG400, and water (v/v/v/v, 5/5/30/60) For intravenous injection and oral administration respectively [1]. WDR5-IN-5 PK profile 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 (%) iv 3 26 1951 1.6 / / po 10 2083 3984 / 1.3 61
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| Cell Assay |
Cell proliferation experiment [1]
Cell Types: MV4:11, MOLM-13 Cell Tested Concentrations: 0-30 μM Incubation Duration: 5 days Experimental Results: MV4:11, MOLM-13 cell growth was inhibited, and demonstrated target and off-target conditions inhibitory mechanism. |
| Animal Protocol |
Animal/Disease Models: Male CD-1 mouse[1]
Doses: 3 mg/kg iv; 10 mg/kg po Method: intravenous (iv) (iv)injection or po (oral gavage). Experimental Results: high oral exposure (AUC0, inf=3984 h.ng/mL), long T1/2 half-life=1.3 h, low venous clearance (26 mL/min/kg). |
| References |
| Molecular Formula |
C29H29F3N6O
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|---|---|
| Molecular Weight |
534.575376272202
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| Exact Mass |
534.235
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| CAS # |
2417012-26-9
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| PubChem CID |
153572662
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| Appearance |
White to light yellow solid powder
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| LogP |
3.9
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
39
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| Complexity |
871
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C1(=O)C2=C(C(C3=CN(CC)N=C3C(F)(F)F)=CC(CN3C=NC=C3)=C2)CCN1[C@@H](C1CC1)C1=NC=CC(C)=C1
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| InChi Key |
FFUQRXFVTVBZMZ-SANMLTNESA-N
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| InChi Code |
InChI=1S/C29H29F3N6O/c1-3-37-16-24(27(35-37)29(30,31)32)22-13-19(15-36-11-9-33-17-36)14-23-21(22)7-10-38(28(23)39)26(20-4-5-20)25-12-18(2)6-8-34-25/h6,8-9,11-14,16-17,20,26H,3-5,7,10,15H2,1-2H3/t26-/m0/s1
|
| Chemical Name |
2-[(S)-cyclopropyl-(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-7-(imidazol-1-ylmethyl)-3,4-dihydroisoquinolin-1-one
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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: ~50 mg/mL (~93.5 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (2.34 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (12.5 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 1.25 mg/mL (2.34 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 DMSO stock solution (12.5 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8706 mL | 9.3531 mL | 18.7063 mL | |
| 5 mM | 0.3741 mL | 1.8706 mL | 3.7413 mL | |
| 10 mM | 0.1871 mL | 0.9353 mL | 1.8706 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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