ALK-IN-1
ALK-IN-1 (CAS 1197958-12-5) is a synthetic small-molecule inhibitor orally active against anaplastic lymphoma kinase (ALK), a receptor tyrosine kinase within the insulin receptor superfamily. It inhibits ALK activity with reported IC50 values of 5-11 nM and effectively targets the ALK L1196M mutant variant with IC50 between 15 and 45 nM. Additionally, ALK-IN-1 demonstrates inhibition of mutant epidermal growth factor receptor (EGFR) bearing the T790M mutation, as well as c-ros oncogene 1 (ROS1). It exhibits cellular activity against cell lines expressing wild-type or mutant EML4-ALK rearrangements, such as H3122 and Ba/F3, indicating potential utility in studying ALK-related signaling and resistance mechanisms in oncology research.
References:
[1]Solomon B, Wilner KD, Shaw AT. Current status of targeted therapy for anaplastic lymphoma kinase-rearranged non-small cell lung cancer. Clin Pharmacol Ther. 2014 Jan;95(1):15-23. doi: 10.1038/clpt.2013.200. Epub 2013 Oct 3.
[2]Katayama R1, Khan TM, Benes C, Lifshits E, Ebi H, Rivera VM, Shakespeare WC, Iafrate AJ, Engelman JA, Shaw AT. Therapeutic strategies to overcome crizotinib resistance in non-small cell lung cancers harboring the fusion oncogene EML4-ALK. Proc Natl Acad Sci U S A. 2011 May 3;108(18):7535-40. doi: 10.1073/pnas.1019559108. Epub 2011 Apr 18.
| Physical Appearance | A solid |
| Storage | Store at -20°C |
| M.Wt | 529.01 |
| Cas No. | 1197958-12-5 |
| Formula | C26H34ClN6O2P |
| Synonyms | Brigatinib analog |
| Solubility | ≥26.45 mg/mL in DMSO; insoluble in H2O; ≥55.9 mg/mL in EtOH |
| Chemical Name | 5-chloro-2-N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine |
| SDF | Download SDF |
| Canonical SMILES | CN(C)C1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC |
| Shipping Condition | Small Molecules with Blue Ice, Modified Nucleotides with Dry Ice. |
| General tips | We do not recommend long-term storage for the solution, please use it up soon. |
| Description | ALK-IN-1 is a potent inhibitor of ALK with IC50 of 0.62 nM. | |||||
| Targets | ALK | FER | ROS/ROS1 | FLT3 | FES/FPS | |
| IC50 | 0.62 nM | 1.3 nM | 1.9 nM | 2.1 nM | 3.4 nM | |
Quality Control & MSDS
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Purity = 98.00%
- COA (Certificate Of Analysis)
- MSDS (Material Safety Data Sheet)
- Datasheet
Chemical structure
Related Biological Data
