SM1-71
Based on 1 Customer Validation
SM1-71 (compound 5) is a potent TAK1 inhibitor, with a Ki of 160 nM, it also can covalently inhibit MKNK2, MAP2K1/2/3/4/6/7, GAK, AAK1, BMP2K, MAP3K7, MAPKAPK5, GSK3A/B, MAPK1/3, SRC, YES1, FGFR1, ZAK (MLTK), MAP3K1, LIMK1 and RSK2. SM1-71 can inhibit proliferation of multiple cancer cell lines.
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- Purity : 96.00%
- CAS No.: 2088179-99-9
- 화학식: C24H26ClN7O
- 분자량:463.96
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보관:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
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용액&용해도
- Protocol
- 순도&문서
- References
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Help & FAQs
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Biological Activity
제품 설명
IC50 & Target
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LIMK1 |
RSK2 |
Cellular Effect
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| ASPC1 | IC50 |
18 nM
Compound: 5
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Antiproliferative activity against human AsPC1 cells harboring KRAS G12D mutant after 72 hrs by CellTiter-Glo assay
Antiproliferative activity against human AsPC1 cells harboring KRAS G12D mutant after 72 hrs by CellTiter-Glo assay
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[PMID: 28038940] |
| BaF3 | IC50 |
3 nM
Compound: 5
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Antiproliferative activity against mouse BA/F3 cells harboring KRAS G12D mutant after 72 hrs in presence of IL-3 by CellTiter-Glo assay
Antiproliferative activity against mouse BA/F3 cells harboring KRAS G12D mutant after 72 hrs in presence of IL-3 by CellTiter-Glo assay
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[PMID: 28038940] |
| BaF3 | IC50 |
5 nM
Compound: 5
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Antiproliferative activity against mouse BA/F3 cells harboring KRAS G12D mutant after 72 hrs by CellTiter-Glo assay
Antiproliferative activity against mouse BA/F3 cells harboring KRAS G12D mutant after 72 hrs by CellTiter-Glo assay
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[PMID: 28038940] |
| BaF3 | IC50 |
7 nM
Compound: 5
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Antiproliferative activity against mouse BA/F3 cells after 72 hrs by CellTiter-Glo assay
Antiproliferative activity against mouse BA/F3 cells after 72 hrs by CellTiter-Glo assay
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[PMID: 28038940] |
| PANC-1 | IC50 |
410 nM
Compound: 5
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Antiproliferative activity against human PANC1 cells harboring KRAS G12D mutant after 72 hrs by CellTiter-Glo assay
Antiproliferative activity against human PANC1 cells harboring KRAS G12D mutant after 72 hrs by CellTiter-Glo assay
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[PMID: 28038940] |
| SK-CO-1 | IC50 |
29 nM
Compound: 5
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Antiproliferative activity against human SKCO1 cells harboring KRAS G12V mutant after 72 hrs by CellTiter-Glo assay
Antiproliferative activity against human SKCO1 cells harboring KRAS G12V mutant after 72 hrs by CellTiter-Glo assay
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[PMID: 28038940] |
| SW-620 | IC50 |
67 nM
Compound: 5
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Antiproliferative activity against human SW620 cells harboring KRAS G12V mutant after 72 hrs by CellTiter-Glo assay
Antiproliferative activity against human SW620 cells harboring KRAS G12V mutant after 72 hrs by CellTiter-Glo assay
|
[PMID: 28038940] |
In Vitro
SM1-71 (0.001-100 μM; 72 h) potently inhibits the proliferation of H23 and Calu-6 non-small cell lung cancer cell lines with a concentration-dependent manner[1].
SM1-71 (72 h) induces potent cytotoxicity with nanomolar values for GR50 and negative GRmax values in eight of 11 cancer cell lines[2].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:H23-KRASG12C and Calu-6-KRASQ61K cells
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Concentration:0.001, 0.01, 0.1, 1, 10, 100 μM
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Incubation Time:72 hours
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Result:Inhibited proliferation of H23-KRASG12C and Calu-6-KRASQ61K cells with IC50s of 0.4 and 0.3 μM, respectively.
Chemical Information
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CAS No. 2088179-99-9
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Appearance Solid
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분자량 463.96
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화학식 C24H26ClN7O
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Color White to off-white
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SMILES
C=CC(NC1=CC=CC=C1NC2=NC(NC3=CC=C(N4CCN(C)CC4)C=C3)=NC=C2Cl)=O
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선적
Room temperature in continental US; may vary elsewhere.
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보관
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
용액&용해도
In Vitro:
DMSO : 125 mg/mL (269.42 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
In Vivo:
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.08 mg/mL (4.48 mM); Clear solution
This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%Saline +
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL.
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
순도&문서
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Data Sheet (275 KB)
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SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 KB)
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Handling Instructions (2659 KB)
References
[1]. Rao S, et, al. Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome. Cell Chem Biol. 2019 Jun 20; 26(6): 818-829.e9. [Content Brief]
[2]. Rao S, et, al. A multitargeted probe-based strategy to identify signaling vulnerabilities in cancers. J Biol Chem. 2019 May 24;294(21):8664-8673. [Content Brief]
[3]. Tan L, et, al. Structure-guided development of covalent TAK1 inhibitors. Bioorg Med Chem. 2017 Feb 1; 25(3): 838-846. [Content Brief]
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 2.1554 mL | 10.7768 mL | 21.5536 mL | 53.8840 mL |
| 5 mM | 0.4311 mL | 2.1554 mL | 4.3107 mL | 10.7768 mL | |
| 10 mM | 0.2155 mL | 1.0777 mL | 2.1554 mL | 5.3884 mL | |
| 15 mM | 0.1437 mL | 0.7185 mL | 1.4369 mL | 3.5923 mL | |
| 20 mM | 0.1078 mL | 0.5388 mL | 1.0777 mL | 2.6942 mL | |
| 25 mM | 0.0862 mL | 0.4311 mL | 0.8621 mL | 2.1554 mL | |
| 30 mM | 0.0718 mL | 0.3592 mL | 0.7185 mL | 1.7961 mL | |
| 40 mM | 0.0539 mL | 0.2694 mL | 0.5388 mL | 1.3471 mL | |
| 50 mM | 0.0431 mL | 0.2155 mL | 0.4311 mL | 1.0777 mL | |
| 60 mM | 0.0359 mL | 0.1796 mL | 0.3592 mL | 0.8981 mL | |
| 80 mM | 0.0269 mL | 0.1347 mL | 0.2694 mL | 0.6735 mL | |
| 100 mM | 0.0216 mL | 0.1078 mL | 0.2155 mL | 0.5388 mL |
SM1-71 Related Classifications
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