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| Targets |
PIM1-IN-1 targets the PIM (Provirus Integration site for Moloney murine leukemia virus) family of serine/threonine kinases, specifically PIM1 and PIM3. It shows strong selectivity for PIM1 (IC₅0 = 7 nM) and PIM3 (IC₅0 = 70 nM) over PIM2 (IC₅0 = 5530 nM). The compound inhibits PIM-mediated phosphorylation of BAD, a downstream target involved in apoptosis regulation. It has no detectable effects on FLT3 or hERG binding.
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| ln Vitro |
PIM1-IN-1 (Compound 42) exhibits antiproliferative activity in the melanoma cell line SKMEL-19, with a GI50 of 1.48 µM. In various tumor cell lines, the combination of PIM1-ING1 and various anti-tumor medications exhibits notable synergistic effects [1]. In SKMEL19 cells, PIM1-IN-1 (2.5, 5 or 10 µM, 24 hours) induces apoptosis [1].
In vitro, PIM1-IN-1 inhibits PIM1 with an IC₅0 of 7 nM, PIM3 with an IC₅0 of 70 nM, and PIM2 with an IC₅0 of 5530 nM. It inhibits the phosphorylation of BAD (a downstream target of PIM) with an EC₅0 of 262 nM. The compound shows no detectable inhibition of FLT3 or hERG binding. It exhibits antiproliferative and anti-cancer activity in cell-based assays. |
| ln Vivo |
In BALB-C mice, PIM1-IN-1 has a satisfactory clearance rate of 1.26 L/h/kg [1].
In vivo activity data for PIM1-IN-1 are not extensively documented. Based on its potent and selective inhibition of PIM1/3 and antiproliferative activity, the compound is expected to show anti-tumor efficacy in vivo. It is used in research for PIM-driven oncogenic signaling pathways. Further in vivo efficacy studies in xenograft models would be needed to fully characterize its antitumor activity and pharmacokinetic properties. |
| Enzyme Assay |
The in vitro kinase inhibition assay uses recombinant PIM1, PIM2, and PIM3 kinases. Kinase activity is measured by incubating the enzyme with a peptide substrate and ATP in the presence of varying concentrations of PIM1-IN-1. Phosphorylated substrate is quantified using radioactive ATP incorporation, fluorescence polarization, or luminescence-based methods (such as ADP-Glo). IC₅0 values are calculated from dose-response curves. Selectivity against other kinases (such as FLT3) is assessed similarly.
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| Cell Assay |
Apoptosis analysis[1]
Cell Types: SKMEL19 Cell Tested Concentrations: 2.5, 5 or 10 µM Incubation Duration: 24 hrs (hours) Experimental Results: Modulation of cell cycle and induction of apoptosis in SKMEL19 cells. For in vitro cell-based assays, cancer cell lines are cultured and treated with PIM1-IN-1 at various concentrations. Cell viability is measured using MTT, CellTiter-Glo, or other proliferation assays. BAD phosphorylation (Ser112) is assessed by Western blot to confirm target engagement. Apoptosis may be assessed using caspase activity assays or Annexin V staining. Cells are maintained under standard culture conditions and experiments are typically performed in triplicate. |
| Animal Protocol |
In vivo animal studies for PIM1-IN-1 would typically involve xenograft mouse models using cancer cell lines dependent on PIM kinase activity. Tumor-bearing mice are administered PIM1-IN-1 orally or intraperitoneally at various doses. Tumor volume is measured periodically, and tumor growth inhibition is assessed relative to vehicle-treated controls. At study termination, tumors are harvested for analysis of BAD phosphorylation and other biomarkers. Pharmacokinetic studies may also be performed.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of PIM1-IN-1 are not extensively documented. The compound has molecular weight 474.56 and molecular formula C2₅H30N₈O2. It is soluble in DMSO and typically formulated for in vitro and in vivo studies. The compound shows no detectable effects on hERG binding, suggesting a favorable cardiac safety profile. Further detailed PK parameters (half-life, Cmax, AUC, bioavailability) would require dedicated studies. Storage at -20degC is recommended.
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| Toxicity/Toxicokinetics |
Toxicological data for PIM1-IN-1 are not well characterized in the public domain. As a research chemical, standard safety precautions should be observed. The compound is for laboratory use only and not intended for human therapeutic applications. PIM kinase inhibitors as a class may have potential effects on hematopoietic and immune function. Comprehensive toxicity profiling would be required for therapeutic development.
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| References | |
| Additional Infomation |
PIM1-IN-1 (CAS# 1417630-95-5) is a potent and highly selective PIM1/3 inhibitor. It has IC₅0 values of 7 nM (PIM1), 5530 nM (PIM2), and 70 nM (PIM3). The compound inhibits BAD phosphorylation (EC₅0 = 262 nM) and shows antiproliferative and anticancer activity. It is used in PIM-driven oncogenic signaling research and is not approved for clinical use.
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| Molecular Formula |
C25H30N8O2
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| Molecular Weight |
474.56
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| Exact Mass |
474.249
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| CAS # |
1417630-95-5
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| PubChem CID |
123561371
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
1.7
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
35
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| Complexity |
682
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=C(C2=C(C=C1)C=CC(C1N3C(=NN=1)C1OCCN(CCOC)C=1C=N3)=N2)NCC1CCNCC1
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| InChi Key |
BKDLGAKRAHVMNP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C25H30N8O2/c1-34-13-11-32-12-14-35-23-21(32)16-28-33-24(30-31-25(23)33)20-6-5-18-3-2-4-19(22(18)29-20)27-15-17-7-9-26-10-8-17/h2-6,16-17,26-27H,7-15H2,1H3
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| Chemical Name |
2-[10-(2-methoxyethyl)-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl]-N-(piperidin-4-ylmethyl)quinolin-8-amine
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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 : ~45 mg/mL (~94.82 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 | 2.1072 mL | 10.5361 mL | 21.0722 mL | |
| 5 mM | 0.4214 mL | 2.1072 mL | 4.2144 mL | |
| 10 mM | 0.2107 mL | 1.0536 mL | 2.1072 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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