| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
IC50: 0.048 μM (L3MBTL3), 2.9 μM (L3MBTL1)[1]
UNC1021 targets L3MBTL3 (Lethal(3)malignant brain tumor-like protein 3), a member of the malignant brain tumor (MBT) domain family of epigenetic readers. L3MBTL3 recognizes methylated lysine residues on histone proteins, playing a role in transcriptional repression. UNC1021 also binds to L3MBTL1 with lower affinity (IC50 = 2900 nM). The compound's inhibition of L3MBTL3 disrupts its interaction with methylated histones, affecting gene expression. |
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| ln Vitro |
UNC1021 demonstrates potent in vitro inhibition of L3MBTL3 with an IC50 of 0.048 μM (48 nM). It shows an IC50 of 71 nM for L3MBTL3 when using H4K20me2 as the substrate. The compound has a Kd of 390 nM for L3MBTL3. UNC1021 demonstrates selectivity for L3MBTL3 over L3MBTL1, with a selectivity ratio of 16-fold based on IC50 values.
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| ln Vivo |
In vivo activity of UNC1021 is not extensively documented. As an epigenetic reader domain inhibitor, it is primarily used in in vitro and cell-based studies to investigate the role of L3MBTL3 in transcriptional regulation and disease. Further in vivo studies are needed to evaluate its efficacy in animal models of cancer or developmental disorders.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for UNC1021 typically involve measuring its binding affinity to L3MBTL3 and L3MBTL1 using fluorescence polarization or surface plasmon resonance. Inhibition of L3MBTL3 activity is assessed by measuring the displacement of a methylated histone peptide from the MBT domain. IC50 and Kd values are determined from dose-response curves.
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| Cell Assay |
In vitro cellular assays for UNC1021 involve treating cells with varying concentrations of the compound and measuring its effects on gene expression, cell proliferation, or differentiation. The compound's ability to inhibit L3MBTL3 function can be assessed by evaluating changes in histone methylation marks or by measuring the expression of L3MBTL3 target genes.
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| Animal Protocol |
In vivo animal experiments for UNC1021 are not extensively documented. If used in animal models, typical protocols would involve administering the compound to models of cancer or developmental disorders and evaluating efficacy by measuring tumor growth, developmental abnormalities, or changes in gene expression. Further studies are needed to characterize its in vivo activity.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for UNC1021 are limited. The compound is soluble in DMSO at 9 mg/mL (20.52 mM). Its absorption, distribution, metabolism, and excretion properties have not been extensively characterized. Further pharmacokinetic studies are needed to determine its bioavailability and tissue distribution.
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| Toxicity/Toxicokinetics |
Toxicological data for UNC1021 are limited. As a research compound, comprehensive toxicological studies have not been reported. The compound is intended for research use only and is not for human therapeutic application. Standard laboratory safety precautions should be followed when handling this compound.
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| References |
[1]. James LI, et al. Small-molecule ligands of methyl-lysine binding proteins: optimization of selectivity for L3MBTL3. J Med Chem. 2013 Sep 26;56(18):7358-71.
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| Additional Infomation |
UNC1021 (CAS#: 1322591-19-4) has the molecular formula C26H38N4O2 and a molecular weight of 438.61 g/mol. Its SMILES is O=C(N1CCC(CC1)N1CCCC1)c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1. Purity is ≥98%. The compound is for research use only.
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| Molecular Formula |
C26H38N4O2
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|---|---|
| Molecular Weight |
438.61
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| Exact Mass |
438.299
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| CAS # |
1322591-19-4
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| PubChem CID |
56577044
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
3
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
32
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| Complexity |
578
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CCN(C1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)N4CCC(CC4)N5CCCC5
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| InChi Key |
HIWUTKCNKODAMJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C26H38N4O2/c31-25(29-17-9-23(10-18-29)27-13-1-2-14-27)21-5-7-22(8-6-21)26(32)30-19-11-24(12-20-30)28-15-3-4-16-28/h5-8,23-24H,1-4,9-20H2
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| Chemical Name |
[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 : ≥ 9.09 mg/mL (20.72 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2799 mL | 11.3996 mL | 22.7993 mL | |
| 5 mM | 0.4560 mL | 2.2799 mL | 4.5599 mL | |
| 10 mM | 0.2280 mL | 1.1400 mL | 2.2799 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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