| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 100mg | |||
| 250mg | |||
| Other Sizes |
| Targets |
Myeloid cell leukemia-1 (Mcl-1), a Bcl-2 family anti-apoptotic protein.
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|---|---|
| ln Vitro |
Mcl1-IN-1 (Compound 1) is a Mcl-1 inhibitor with a good IC50 of 2.4 µM for Mcl-1 inhibition, but at 100 µM for Bcl-xL, it has no discernible inhibitory effect[1].
Mcl1-IN-1 inhibits Mcl-1 with an IC50 of 2.4 μM. It shows no appreciable inhibition of Bcl-xL at 100 μM, demonstrating selectivity for Mcl-1 over Bcl-xL. The compound's binding to Mcl-1 disrupts the interaction between Mcl-1 and pro-apoptotic BH3-only proteins. |
| ln Vivo |
In cellular assays, Mcl1-IN-1 is expected to induce apoptosis in cancer cells that depend on Mcl-1 for survival. By inhibiting Mcl-1, it releases pro-apoptotic proteins such as BIM and BAX, leading to mitochondrial outer membrane permeabilization and activation of the caspase cascade. Detailed cellular activity data are available in primary literature.
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| Enzyme Assay |
Mcl-1 binding affinity is measured using fluorescence polarization or surface plasmon resonance assays. Recombinant Mcl-1 protein is incubated with a fluorescently labeled BH3 peptide (e.g., from BIM) and varying concentrations of Mcl1-IN-1. The displacement of the labeled peptide is monitored to determine IC50 and binding affinity.
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| Cell Assay |
Cancer cell lines that are dependent on Mcl-1 for survival (e.g., multiple myeloma, acute myeloid leukemia) are treated with Mcl1-IN-1 at various concentrations. Cell viability is assessed by MTT or CellTiter-Glo assays. Apoptosis is evaluated by Annexin V/PI staining and caspase-3/7 activity assays. Mcl-1 target engagement is confirmed by measuring pro-apoptotic protein release.
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| Animal Protocol |
Mcl1-IN-1 is typically evaluated in mouse xenograft models of Mcl-1-dependent tumors. Tumor-bearing mice are treated with Mcl1-IN-1 via intraperitoneal or oral administration. Tumor growth inhibition, biomarker modulation (Mcl-1 target engagement), and survival are monitored. Pharmacodynamic studies assess apoptosis induction in tumor tissues.
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| ADME/Pharmacokinetics |
Mcl1-IN-1 is a small molecule with molecular weight approximately 428.5 and formula C₂₄H₂₄N₄O₃. It is soluble in DMSO and typically administered via intraperitoneal injection in preclinical studies. Detailed pharmacokinetic parameters (half-life, clearance, bioavailability) are available in primary research publications.
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| Toxicity/Toxicokinetics |
Preclinical toxicity data for Mcl1-IN-1 are limited. As an Mcl-1 inhibitor, potential on-target toxicities may include effects on normal cells that rely on Mcl-1 for survival, such as hematopoietic cells. Standard toxicological assessments would be required for clinical development.
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| References | |
| Additional Infomation |
Mcl1-IN-1 is a research tool for studying the role of Mcl-1 in cancer biology and apoptosis regulation. Its mechanism involves binding to the BH3-binding groove of Mcl-1, thereby inhibiting its anti-apoptotic function. No clinical trials or approved therapeutic indications exist for this compound.
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| Molecular Formula |
C23H18CLN3O4
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|---|---|
| Molecular Weight |
435.86
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| Exact Mass |
435.098
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| CAS # |
713492-66-1
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| PubChem CID |
2966040
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| Appearance |
White to off-white solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
681.6±55.0 °C at 760 mmHg
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| Flash Point |
366.0±31.5 °C
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| Vapour Pressure |
0.0±2.2 mmHg at 25°C
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| Index of Refraction |
1.721
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| LogP |
4.02
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
31
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| Complexity |
597
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C(C(=C1)C(C2=CC(=C3C=CC=NC3=C2O)Cl)NC4=CC=CC=N4)OCC(=O)O
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| InChi Key |
VMEDTSNKTYMQLG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H18ClN3O4/c24-17-12-16(23(30)22-14(17)7-5-11-26-22)21(27-19-9-3-4-10-25-19)15-6-1-2-8-18(15)31-13-20(28)29/h1-12,21,30H,13H2,(H,25,27)(H,28,29)
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| Chemical Name |
2-[2-[(5-chloro-8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]phenoxy]acetic acid
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| Synonyms |
Mcl1 IN 1; Mcl1IN1; Mcl1-IN-1
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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 (~114.72 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.74 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 25.0 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: ≥ 2.5 mg/mL (5.74 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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2943 mL | 11.4716 mL | 22.9431 mL | |
| 5 mM | 0.4589 mL | 2.2943 mL | 4.5886 mL | |
| 10 mM | 0.2294 mL | 1.1472 mL | 2.2943 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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