TAE684 (NTVP-TAE684) is a potent, selective ALK inhibitor that blocks the growth of ALCl-derived ALK-dependent cell lines with IC50 ranging from 2nM to 10nM, and is 100 times more selective against ALK than for InsR. TAE684 (NVP-TAE684) can induce cell cycle arrest and apoptosis.

 

Brand: BCM

 

Target: Apoptosis; ALK

 

Signaling Pathways: Angiogenesis; Apoptosis; Tyrosine Kinase/Adaptors

 

In Vitro: NVP-TAE684 selectively inhibited ALK kinase, but did not cross-react with other kinases. NVP-TAE684 effectively inhibited the proliferation of Ba/F3 NPM-ALK cells with IC50 of 3 nM, and NVP-TAE684 had no effect on Ba/F3 cell survival at 1 μM. NVP-TAE684 also inhibited proliferation of human ALCL cell lines expressing NPM-ALK, including Karpas-299 and SU-DHL-1, with IC50 of 2-5 nM. Molecular models suggest that L258 may be one of the major kinase selectivity factors of NVP-TAE684. The phosphorylation of NPM-ALK was rapidly and persistently inhibited by NVP-TAE684 treatment. Nfp-tae684 acts on NPM-AlK-expressing Ba/F3 cells and ALCL patient cell lines, inducing apoptosis and stopping the cell cycle in G1 phase. Nfp-tae684 acts on H3122 CR cells, significantly overcomes the anti-Crizotinib properties of the cells, contains the fusion oncogene EML4-ALK, reduces cell growth, inhibits ALK phosphorylation and induces apoptosis. NVP-TAE684 at 30 nM inhibited neurite proliferation induced by mALK R1279Q mutation expression.

 

Melting Point: 166-169°C

 

Boiling Point: 791.0±70.0 °C(Predicted)

 

pKa: 8.14±0.42(Predicted)

 

Solubility: Soluble in DMSO. Insoluble in Water; insoluble in Ethnaol.

 

GHS: GHS07

 

Isomeric SMILES: CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC  

 

InChIKey: QQWUGDVOUVUTOY-UHFFFAOYSA-N  

 

InChI: InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35) 

 

Attribute
[Chem Name]	5-chloro-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
[Synonym]	TAE684; NVP-TAE684
[CAS No.]	761439-42-3
[MDL No.]	MFCD11977634
[Formula]	C30H40ClN7O3S
[Molecular]	614.2
[Form]	White to Pale Yellow Solid
[Storage]	Keep in dark place. Inert atmosphere. Store in freezer, under -20°C

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