TL13-12 | CAS 2229037-04-9 | AnyMole

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HIT212080413

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HIT212080413

HIT ID:HIT212080413
Cas No:2229037-04-9
常用名:TL13-12
IUPAC:N-(2-{2-[2-(4-{4-[(5-chloro-4-{[2-(propane-2-sulfonyl)phenyl]amino}pyrimidin-2-yl)amino]-3-methoxyphenyl}piperazin-1-yl)ethoxy]ethoxy}ethyl)-2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}acetamide
IUPAC:N-(2-{2-[2-(4-{4-[(5-chloro-4-{[2-(propane-2-sulfonyl)phenyl]amino}pyrimidin-2-yl)amino]-3-methoxyphenyl}piperazin-1-yl)ethoxy]ethoxy}ethyl)-2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}acetamide
InChI key:WXNUIPVZMJMPNM-UHFFFAOYSA-N

分子式:C45H53ClN10O10S
分子量:961.49
氢键供体数 (HBD):5
氢键受体数 (HBA):17
LogP:3.2901638
SMILES:COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CCOCCOCCNC(=O)CNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)CC1
SMILES:COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCN(CCOCCOCCNC(=O)CNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)CC1

TL13-12 is a selective degrader of ALK-PROTAC and inhibits ALK activity (IC50: 0.69 nM).

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