Name: TL13-112
Brand: BOC Sciences
Price: 299 USD
Availability: MadeToOrder

Size

Price

Stock

Quantity

5 mg

$299

In stock

Purity

≥98%

Solubility

Soluble in DMSO

Appearance

Yellow Solid

Storage

Store at -20°C

Shipping

Room temperature in continental US; may vary elsewhere.

IUPACName

N-[2-[2-[2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide

Synonyms

TL 13-112; TL-13-112; N-[2-[2-[2-[4-[4-[[5-Chloro-4-[[2-[(1-methylethyl)sulfonyl]phenyl]amino]-2-pyrimidinyl]amino]-2-methyl-5-(1-methylethoxy)phenyl]-1-piperidinyl]ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]acetamide; N-(2-{2-[2-(4-{4-[(5-Chloro-4-{[2-(isopropylsulfonyl)phenyl]amino}-2-pyrimidinyl)amino]-5-isopropoxy-2-methylphenyl}-1-piperidinyl)ethoxy]ethoxy}ethyl)-N2-[2-(2,6-dioxo-3-piperidinyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]glycinamide; Acetamide, N-[2-[2-[2-[4-[4-[[5-chloro-4-[[2-[(1-methylethyl)sulfonyl]phenyl]amino]-2-pyrimidinyl]amino]-2-methyl-5-(1-methylethoxy)phenyl]-1-piperidinyl]ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]-

Density

1.350±0.06 g/cm3 (Predicted)

InChI Key

XIRQUXILNXIWDI-UHFFFAOYSA-N

InChI

InChI=1S/C49H60ClN9O10S/c1-29(2)69-40-26-34(31(5)25-38(40)55-49-53-27-35(50)45(57-49)54-36-10-6-7-12-41(36)70(65,66)30(3)4)32-15-18-58(19-16-32)20-22-68-24-23-67-21-17-51-43(61)28-52-37-11-8-9-33-44(37)48(64)59(47(33)63)39-13-14-42(60)56-46(39)62/h6-12,25-27,29-30,32,39,52H,13-24,28H2,1-5H3,(H,51,61)(H,56,60,62)(H2,53,54,55,57)

Canonical SMILES

CC(OC1=CC(C2CCN(CC2)CCOCCOCCNC(CNC3=CC=CC4=C3C(N(C4=O)C5CCC(NC5=O)=O)=O)=O)=C(C=C1NC6=NC=C(C(NC7=CC=CC=C7S(=O)(C(C)C)=O)=N6)Cl)C)C

1. Chemically induced degradation of anaplastic lymphoma kinase (ALK).

Powell, C.E., Gao, Y., Tan, L., Donovan, K.A., Nowak, R.P., Loehr, A., Bahcall, M., Fischer, E.S., Jänne, P.A., George, R.E. and Gray, N.S., 2018. Journal of medicinal chemistry, 61(9), pp.4249-4255.

We present the development of the first small molecule degraders that can induce anaplastic lymphoma kinase (ALK) degradation, including in non-small-cell lung cancer (NSCLC), anaplastic large-cell lymphoma (ALCL), and neuroblastoma (NB) cell lines. These degraders were developed through conjugation of known pyrimidine-based ALK inhibitors, TAE684 or LDK378, and the cereblon ligand pomalidomide. We demonstrate that in some cell types degrader potency is compromised by expression of drug transporter ABCB1. In addition, proteomic profiling demonstrated that these compounds also promote the degradation of additional kinases including PTK2 (FAK), Aurora A, FER, and RPS6KA1 (RSK1).

ConcentrationVolumeMass	1 mg	5 mg	10 mg
0.5 mM	1.99 mL	9.97 mL	19.95 mL
2.5 mM	0.4 mL	1.99 mL	3.99 mL
5 mM	0.2 mL	1 mL	1.99 mL
25 mM	0.04 mL	0.2 mL	0.4 mL

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* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C₁V₁ = C₂V₂