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MS1943 (MS-1943) is a novel and potent EZH2 degrader (IC50 = 120 nM) with anticancer activity. It significantly reduces EZH2 protein levels in numerous triple-negative breast cancer (TNBC) and other cancer and noncancerous cell lines.
| ln Vitro |
MS1943 (0.625-5 μM; 3 days) inhibits cell growth with a GI50 of 2.2 µM[1]. MDA-MB-468 cells are exposed to MS1943 (0.625-5 μM; 4 days), which causes cell death. The TNBC cells BT549, HCC70, and MDA-MB-231, the lymphoma cells KARPAS-422 and SUDHL8, and the non-cancerous prostate cells PNT2 all exhibit effective reductions in EZH2 levels when exposed to MS1943[1]. Without influencing EED protein levels, MS1943 (1.25-5.0 μM; 2 days) suppresses the H3K27me3 mark and inhibits EZH2 and SUZ12 protein levels in a concentration- and time-dependent manner[1].
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| ln Vivo |
Tumor development is suppressed by MS1943 (150 mg/kg body weight; ip; once daily for 36 days)[1]. MS1943 causes the MDA-MB-468 xenograft model to undergo apoptosis[1]. A single intraperitoneal (i.p.) injection of MS1943 at a dose of 50 mg/kg body weight produced plasma concentrations above its cellular IC50 value for approximately two hours, with a peak plasma concentration (Cmax) of 2.9 µM. A single dose of 150 mg/kg body weight po produced a Cmax of 1.1 µM; however, the cellular IC50 value was not reached by the plasma concentrations[1].
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| Cell Assay |
Cell Viability Assay[1]
Cell Types: MDA-MB-468 cells Tested Concentrations: 0.625, 1.25, 2.5, 5 μM Incubation Duration: 3 days Experimental Results: Inhibits cell growth with an GI50 of 2.2 µM. Western Blot Analysis[1] Cell Types: MDA-MB-468 cells Tested Concentrations: 1.25, 2.5, 5.0 µM Incubation Duration: 2 days Experimental Results: decreased EZH2 protein levels in a concentration- and time-dependent manner. |
| Animal Protocol |
Animal/Disease Models: Eightweeks old female BALB/c nude mice (MDA-MB-468 xenografts)[1]
Doses: 150 mg/kg body weight Route of Administration: ip; one time/day for 36 days Experimental Results: Suppresses tumor growth. |
| References |
| Molecular Formula |
C42H54N8O3
|
|---|---|
| Molecular Weight |
718.9300
|
| Exact Mass |
718.431
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| CAS # |
2225938-17-8
|
| PubChem CID |
139211327
|
| Appearance |
Light yellow to yellow solid powder
|
| LogP |
5.7
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
7
|
| Rotatable Bond Count |
11
|
| Heavy Atom Count |
53
|
| Complexity |
1410
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(C([H])([H])C12C([H])([H])C3([H])C([H])([H])C([H])(C([H])([H])C([H])(C3([H])[H])C1([H])[H])C2([H])[H])N([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])N(C2C([H])=C([H])C(C3=C([H])C(C(N([H])C([H])([H])C4C(N([H])C(C([H])([H])[H])=C([H])C=4C([H])([H])[H])=O)=O)=C4C([H])=NN(C([H])(C([H])([H])[H])C([H])([H])[H])C4=C3[H])=C([H])N=2)C([H])([H])C1([H])[H]
|
| InChi Key |
WQIQJFXBAJJKNT-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C42H54N8O3/c1-26(2)50-37-18-33(17-34(36(37)25-46-50)40(52)45-24-35-27(3)13-28(4)47-41(35)53)32-5-6-38(44-23-32)49-11-9-48(10-12-49)8-7-43-39(51)22-42-19-29-14-30(20-42)16-31(15-29)21-42/h5-6,13,17-18,23,25-26,29-31H,7-12,14-16,19-22,24H2,1-4H3,(H,43,51)(H,45,52)(H,47,53)
|
| Chemical Name |
6-[6-[4-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]piperazin-1-yl]pyridin-3-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
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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 (~173.87 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 6.25 mg/mL (8.69 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 62.5 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: ≥ 6.25 mg/mL (8.69 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 62.5 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. View More
Solubility in Formulation 3: ≥ 6.25 mg/mL (8.69 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.3910 mL | 6.9548 mL | 13.9096 mL | |
| 5 mM | 0.2782 mL | 1.3910 mL | 2.7819 mL | |
| 10 mM | 0.1391 mL | 0.6955 mL | 1.3910 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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