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| Targets |
ME-401 specifically targets the p110δ isoform of phosphoinositide 3-kinase (PI3K). PI3Kδ is a key signaling enzyme in the PI3K/AKT/mTOR pathway, which is frequently dysregulated in cancer, particularly in B-cell malignancies. By selectively inhibiting p110δ, ME-401 can block this pathway, leading to reduced cell proliferation and survival in cancer cells. It has an IC50 of 0.6 nM in cellular assays.
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| ln Vitro |
In vitro, ME-401 is a highly potent inhibitor of p110δ. It has an IC50 of 8.4 nM in biochemical assays and 0.6 nM in cellular assays. Its activity is characterized by its ability to selectively inhibit p110δ over other PI3K isoforms, which is important for minimizing off-target effects. This makes it a valuable tool for studying the specific role of PI3Kδ in various cellular processes.
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| ln Vivo |
ME-401 is an oral, once-daily, selective PI3Kδ inhibitor that is being tested in clinical settings for the treatment of B-cell cancers. It has an ideal pharmacologic profile. To exert its mechanism of action, ME-401 can bind to the target with high affinity, be orally absorbed, spread to the target tissues, enter and accumulate in the target cells, and bind to the target. [2]
In vivo, ME-401 is an orally active compound that has been studied in preclinical models of cancer. Its potent and selective inhibition of p110δ makes it a candidate for the treatment of B-cell malignancies. While specific in vivo efficacy data are not detailed in the provided sources, its mechanism and potency support its use as a therapeutic agent. |
| Enzyme Assay |
In vitro enzyme/receptor binding studies for ME-401 are performed using kinase activity assays. In these assays, the p110δ enzyme is incubated with its substrate and ATP in the presence of varying concentrations of the inhibitor. The enzyme's activity is measured by detecting the production of phosphorylated substrate. The IC50 of 8.4 nM is determined from these experiments, confirming its potent inhibition of p110δ.
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| Cell Assay |
In vitro cellular assays for ME-401 are used to study its effects on cancer cells. Cells, particularly those from B-cell malignancies, are treated with the compound. Key readouts include cell viability (MTT or CellTiter-Glo assays), apoptosis (Annexin V/PI staining), and the phosphorylation status of AKT, a downstream target of PI3K. The IC50 of 0.6 nM in these assays confirms its potent cellular activity.
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| Animal Protocol |
CD-1 mice, Sprague Dawley (SD) rats, Female BALB/c mice, Beagle dogs, Cynomolgus monkeys
10 mg/kg for mice, 5 mg/kg for rats, 2 mg/kg for dogs and monkeys Oral gavage In vivo animal studies for ME-401 are not extensively documented in the provided sources. As a potent PI3Kδ inhibitor, it would be studied in xenograft models using B-cell lymphoma or leukemia cell lines. Tumor-bearing mice would be treated with the compound orally, and endpoints would include tumor growth inhibition, survival, and pharmacodynamic analysis of target inhibition in the tumor tissue. |
| ADME/Pharmacokinetics |
Pharmacokinetic properties of ME-401 are characterized by its oral availability. It has a molecular weight of 604.77 g/mol and a molecular formula of C₃₁H₄₀N₈O₃S. It is soluble in DMSO at 20 mg/mL. These properties are favorable for an orally administered compound and are important for its use in in vivo studies.
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| Toxicity/Toxicokinetics |
Toxicological data for ME-401 are limited, as it is a research compound. Its primary value is as a tool for studying PI3Kδ biology. While specific toxicity profiles are not detailed, its mechanism of inhibiting a key signaling pathway could have significant effects. Comprehensive safety studies are not available in the public domain.
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| References | |
| Additional Infomation |
ME-401 is a research-use-only compound that acts as a potent and selective PI3K p110δ inhibitor. Its CAS number is 1595129-71-7. It is also known as P110δ-IN-1 and PWT-143. This compound is a valuable tool for researchers studying the role of PI3Kδ in cancer and other diseases. It is not an approved drug.
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| Molecular Formula |
C31H40N8O3S
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|---|---|
| Molecular Weight |
604.766104698181
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| Exact Mass |
604.294
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| Elemental Analysis |
C, 61.57; H, 6.67; N, 18.53; O, 7.94; S, 5.30
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| CAS # |
1595129-71-7
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| Related CAS # |
1595129-71-7;Zandelisib HCl Zandelisib mesylate;
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| PubChem CID |
73441802
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| Appearance |
White to off-white solid powder
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| LogP |
4.6
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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 |
8
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| Heavy Atom Count |
43
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| Complexity |
1010
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)(CC1=CC=CC=C1C2CCN(CC2)C)NC3=NC(=NC(=N3)N4CCOCC4)N5C6=CC=CC=C6N=C5S(=O)(=O)C
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| InChi Key |
PGTXVGREXBMCCY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C31H40N8O3S/c1-31(2,21-23-9-5-6-10-24(23)22-13-15-37(3)16-14-22)36-27-33-28(38-17-19-42-20-18-38)35-29(34-27)39-26-12-8-7-11-25(26)32-30(39)43(4,40)41/h5-12,22H,13-21H2,1-4H3,(H,33,34,35,36)
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| Chemical Name |
N-[2-methyl-1-[2-(1-methylpiperidin-4-yl)phenyl]propan-2-yl]-4-(2-methylsulfonylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
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| Synonyms |
Zandelisib; PWT-143; PWT143; PWT 143; ME-401; ME 401; ME401
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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: 4.6~20 mg/mL (7.64~33.1mM)
H2O: <0.1 mg/mL |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.44 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 20.8 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: 2.08 mg/mL (3.44 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (3.44 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 | 1.6535 mL | 8.2676 mL | 16.5352 mL | |
| 5 mM | 0.3307 mL | 1.6535 mL | 3.3070 mL | |
| 10 mM | 0.1654 mL | 0.8268 mL | 1.6535 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 |
| NCT03985189 | Active Recruiting |
Drug: ME-401 | Relapsed | Kyowa Kirin Co., Ltd. | April 29, 2019 | Phase 1 |
| NCT04533581 | Active Recruiting |
Drug: ME-401 | Indolent B-cell Non-Hodgkin's Lymphoma |
Kyowa Kirin Co., Ltd. | September 17, 2020 | Phase 2 |
| NCT04517435 | Recruiting | Drug: ME-401 Drug: Rituximab |
Diffuse Large B-Cell Lymphoma | Deepa Jagadeesh | April 28, 2021 | Phase 1 Phase 2 |
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