| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 50mg |
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| 100mg | |||
| Other Sizes |
| Targets |
IC50: 0.8 nM (GAK), 0.8 nM (YES1), 2 nM (SRC), 4.4 nM (AAK1), 5.4 nM (LIMK1), 7.1 nM (BMP2K), 9.3 nM (MAP2K2), 10.4 nM (MAP2K1), 28.7 nM (MAP3K1), 48.3 nM (MAPK1), 107 nM (MAPK3)[1]
SM1-71 covalently inhibits 23 kinases including MKNK2, MAP2K1/2/3/4/6/7, GAK, AAK1, BMP2K, MAP3K7 (TAK1), MAPKAPK5, GSK3A/B, MAPK1/3, SRC, YES1, FGFR1, ZAK(MLTK), MAP3K1, LIMK1, and RSK2. It is a potent TAK1 inhibitor with a Ki value of 160 nM. |
|---|---|
| ln Vitro |
In a concentration-dependent manner, SM1-71 (0.001-100 μM; 72 h) potently suppresses the growth of H23 and Calu-6 non-small cell lung cancer cell lines[1]. In eight out of eleven cancer cell lines, SM1-71 (72 h) generates strong cytotoxicity with nanomolar values for GR50 and negative GRmax values[2].
In vitro, SM1-71 inhibits the proliferation of multiple cancer cell lines. It acts as a promiscuous covalent kinase inhibitor (CKI) that reacts with the P-loop cysteine of SRC (Cys277), with an IC₅0 of 4 nM for Src. The compound effectively blocks various kinase-mediated signaling pathways. |
| ln Vivo |
In vivo, SM1-71 has been investigated for its antitumor activity in preclinical models. As a multi-kinase inhibitor, it is expected to suppress tumor growth through the simultaneous inhibition of multiple oncogenic signaling pathways. Detailed in vivo efficacy data are limited and primarily derived from ongoing research studies.
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| Enzyme Assay |
Kinase inhibition assays for SM1-71 typically involve incubating the compound with purified recombinant kinases and ATP. Activity is measured using labeled ATP (32P or 33P) or by detecting phosphorylated substrates via ELISA or fluorescence-based methods. IC₅0 and Ki values are calculated from dose-response curves.
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| Cell Assay |
Cell Viability Assay[1]
Cell Types: H23-KRASG12C and Calu-6-KRASQ61K cells Tested Concentrations: 0.001, 0.01, 0.1, 1, 10, 100 μM Incubation Duration: 72 hrs (hours) Experimental Results: Inhibited proliferation of H23-KRASG12C and Calu-6-KRASQ61K cells with IC50s of 0.4 and 0.3 μM, respectively. Cellular assays for SM1-71 utilize various cancer cell lines to assess antiproliferative effects. Cells are treated with the compound at varying concentrations, and cell viability is measured using standard assays such as MTT or CellTiter-Glo. Apoptosis and cell cycle progression can also be evaluated by flow cytometry. |
| Animal Protocol |
In vivo studies with SM1-71 are conducted in rodent xenograft models. The compound is typically administered via oral gavage or intraperitoneal injection. Tumor volume, body weight, and survival are monitored. Pharmacodynamic markers such as kinase phosphorylation are assessed in tumor tissues.
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| ADME/Pharmacokinetics |
As a small molecule with a molecular weight of 463.96, SM1-71 is expected to have reasonable oral bioavailability. It is soluble in DMSO at 125 mg/mL. Standard pharmacokinetic studies would involve measuring plasma concentrations after administration to calculate parameters such as half-life, Cmax, and AUC.
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| Toxicity/Toxicokinetics |
Detailed toxicity data for SM1-71 are limited. As a multi-kinase inhibitor, it may have off-target effects that could contribute to toxicity. Standard safety precautions for laboratory handling of research compounds should be followed. Preclinical toxicology studies would be required for therapeutic development.
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| References |
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| Additional Infomation |
SM1-71 is a research-use compound and is not approved for therapeutic applications. It is also known as a multi-targeted covalent kinase inhibitor. The compound is available from multiple research suppliers and is used primarily in cancer research to study kinase signaling pathways and the effects of multi-kinase inhibition.
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| Molecular Formula |
C24H26CLN7O
|
|---|---|
| Molecular Weight |
463.96
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| Exact Mass |
463.188
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| CAS # |
2088179-99-9
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| PubChem CID |
131801160
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Index of Refraction |
1.691
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| LogP |
2.88
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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
|
| Heavy Atom Count |
33
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| Complexity |
636
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4NC(=O)C=C)Cl
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| InChi Key |
SCMLGVPMSXTUNC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C24H26ClN7O/c1-3-22(33)28-20-6-4-5-7-21(20)29-23-19(25)16-26-24(30-23)27-17-8-10-18(11-9-17)32-14-12-31(2)13-15-32/h3-11,16H,1,12-15H2,2H3,(H,28,33)(H2,26,27,29,30)
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| Chemical Name |
N-[2-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
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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 (269.42 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.48 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 (4.48 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 20.8 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 | 2.1554 mL | 10.7768 mL | 21.5536 mL | |
| 5 mM | 0.4311 mL | 2.1554 mL | 4.3107 mL | |
| 10 mM | 0.2155 mL | 1.0777 mL | 2.1554 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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