TL13-110 | TL 13-110 | CAS 2229037-09-4 | AnyMole

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HIT212080415

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HIT212080415

HIT ID:HIT212080415
Cas No:2229037-09-4
常用名:TL13-110
别名:TL 13-110
IUPAC:N-(2-{2-[2-(4-{4-[(5-chloro-4-{[2-(propane-2-sulfonyl)phenyl]amino}pyrimidin-2-yl)amino]-2-methyl-5-(propan-2-yloxy)phenyl}piperidin-1-yl)ethoxy]ethoxy}ethyl)-2-{[1,3-dioxo-2-(2-oxopiperidin-3-yl)-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]-2-methyl-5-(propan-2-yloxy)phenyl}piperidin-1-yl)ethoxy]ethoxy}ethyl)-2-{[1,3-dioxo-2-(2-oxopiperidin-3-yl)-2,3-dihydro-1H-isoindol-4-yl]amino}acetamide
InChI key:IJAANTOEOXWPKC-UHFFFAOYSA-N

分子式:C49H62ClN9O9S
分子量:988.6
氢键供体数 (HBD):5
氢键受体数 (HBA):15
LogP:5.52378
SMILES:CC(C)Oc1cc(C2CCN(CCOCCOCCNC(=O)CNc3cccc4C(=O)N(C5CCCNC5=O)C(=O)c34)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
SMILES:CC(C)Oc1cc(C2CCN(CCOCCOCCNC(=O)CNc3cccc4C(=O)N(C5CCCNC5=O)C(=O)c34)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

Negative control for TL 13-112 . Displays no degradation of ALK in cell lines. Highly potent ALK inhibitor (IC50 = 0.34 nM).

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供应商
TargetMolSC
规格
货期
35日内发货
纯度
-
¥ 9,870.00
1

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