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VTP50469 (VTP-50469) is a novel, oral and potent inhibitor of Menin-MLL protein protein interaction (Ki = 104 pM) with potential anticancer activity. Inhibition of the menin(MEN) and MLL1(KMT2A) interaction reverses leukemic gene expression driven by MLL-fusion proteins and is a potential targeted therapeutic strategy in MLL-rearranged AML.
| ln Vitro |
Commercially available VTP50469 (MOLM13 (IC50: 13 nM), THP1 (IC50: 37 nM), NOMO1 (IC50: 30 nM), ML2 (IC50: 16 nM), EOL1 (IC50: 20 nM), and mouse MLL-AF9 cells (IC50 of 15 nM) and ALL (KOPN8 (IC50 of 15 nM), HB11;19 (IC50 of 36 nM), MV4;11 (IC50 of 17 nM), SEMK2 (IC50 of 27 nM), and RS4;11 (IC 50: 25 nM)) [1]. MLL-r B cells react dose-dependently to VTP50469 at early time points. VTP50469 is submitted by MLL-r AML cell lines 4-6 days following VTP50469. removed from the protein complex and stops MLL from labeling genes' chromatin. Changes in gene expression, yeast, and cell dormancy are caused by MLL-bound staining [1].
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| ln Vivo |
Treatment with VTP50469 (15-60 mg/kg; interventional; twice daily; 28 days; NSG mice) was highly successful at all dosages, with significant survival in all treatment groups. Advantages are 30 and 60 mg/kg
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| Animal Protocol |
Animal/Disease Models: Unconditional Immunodeficient (NSG) mice with MV4;11 cells [1]
Doses: 15 mg/kg, 30 mg/kg and 60 mg/kg Route of Administration: Orally drug; twice (two times) daily; for 28 days Experimental Results: Highly effective at all dose levels, and all treatment groups had a significant survival advantage over the control group. |
| References |
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| Molecular Formula |
C32H47FN6O4S
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|---|---|
| Molecular Weight |
630.8168
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| Exact Mass |
630.336
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| CAS # |
2169916-18-9
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| Related CAS # |
VTP50469 fumarate;2169919-29-1
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| PubChem CID |
132212900
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| Appearance |
White to light yellow solid powder
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| LogP |
4.4
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
44
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| Complexity |
1040
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S(C([H])([H])[H])(N([H])C1([H])C([H])([H])C([H])([H])C([H])(C([H])([H])C1([H])[H])C([H])([H])N1C([H])([H])C([H])([H])C2(C([H])([H])C1([H])[H])C([H])([H])N(C1C(=C([H])N=C([H])N=1)OC1C([H])=C([H])C(=C([H])C=1C(N(C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])=O)F)C2([H])[H])(=O)=O
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| InChi Key |
ADHHOUXZPBYYSU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C32H47FN6O4S/c1-22(2)39(23(3)4)31(40)27-16-25(33)8-11-28(27)43-29-17-34-21-35-30(29)38-19-32(20-38)12-14-37(15-13-32)18-24-6-9-26(10-7-24)36-44(5,41)42/h8,11,16-17,21-24,26,36H,6-7,9-10,12-15,18-20H2,1-5H3
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| Chemical Name |
5-fluoro-2-[4-[7-[[4-(methanesulfonamido)cyclohexyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-N,N-di(propan-2-yl)benzamide
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| Synonyms |
VTP50469 VTP-50469
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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 : ~125 mg/mL (~198.15 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.96 mM) (saturation unknown) in 5% DMSO + 40% PEG300 + 5% Tween80 + 50% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (3.96 mM) (saturation unknown) in 5% DMSO + 95% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (3.30 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. Solubility in Formulation 4: ≥ 2.08 mg/mL (3.30 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 5: ≥ 2.08 mg/mL (3.30 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. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.5852 mL | 7.9262 mL | 15.8524 mL | |
| 5 mM | 0.3170 mL | 1.5852 mL | 3.1705 mL | |
| 10 mM | 0.1585 mL | 0.7926 mL | 1.5852 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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