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TL 13-22 - ≥98%(HPLC), high purity , CAS No.2229036-65-9
Negative control forTL 13-12
Basic Description
Synonyms | N-(2-(2-(2-(4-(4-((5-Chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)amino)-3-methoxyphenyl)piperazin-1-yl)ethoxy)ethoxy)ethyl)-2-((1,3-dioxo-2-(2-oxopiperidin-3-yl)isoindolin-4-yl)amino)acetamide |
Specifications & Purity | ≥98%(HPLC) |
Biochemical and Physiological Mechanisms | Negative control forTL 13-12. Displays no degradation of ALK in cell lines. Highly potent inhibitor of ALK (IC50= 0.54 nM) |
Storage Temp | Store at -20°C |
Shipped In | Ice chest + Ice pads |
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Associated Targets(Human)
Names and Identifiers
IUPAC Name | N-[2-[2-[2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-2-[[1,3-dioxo-2-(2-oxopiperidin-3-yl)isoindol-4-yl]amino]acetamide |
INCHI | InChI=1S/C45H55ClN10O9S/c1-29(2)66(61,62)38-12-5-4-9-34(38)51-41-32(46)27-50-45(53-41)52-33-14-13-30(26-37(33)63-3)55-19-17-54(18-20-55)21-23-65-25-24-64-22-16-47-39(57)28-49-35-10-6-8-31-40(35)44(60)56(43(31)59)36-11-7-15-48-42(36)58/h4-6,8-10,12-14,26-27,29,36,49H,7,11,15-25,28H2,1-3H3,(H,47,57)(H,48,58)(H2,50,51,52,53) |
InChi Key | JVBGYTWMZKXATO-UHFFFAOYSA-N |
Canonical SMILES | CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)CCOCCOCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C6=O)C7CCCNC7=O)OC |
Isomeric SMILES | CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)CCOCCOCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C6=O)C7CCCNC7=O)OC |
PubChem CID | 138991783 |
Molecular Weight | 947.5 |
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Chemical and Physical Properties
Solubility | Solvent:DMSO, Max Conc. mg/mL: 94.75, Max Conc. mM: 100 |
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