WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 202045
CAS#: 761439-42-3
Description: TAE684, also known as NVP-TAE684, is a highly potent and selective small-molecule ALK inhibitor, which blocked the growth of ALCL-derived and ALK-dependent cell lines with IC(50) values between 2 and 10 nM . TAE684 is also a potent inhibitor of LRRK2 kinase activity (IC(50) of 7.8nM against wild-type LRRK2, 6.1nM against the G2019S mutant).
MedKoo Cat#: 202045
Name: TAE684
CAS#: 761439-42-3
Chemical Formula: C30H40ClN7O3S
Exact Mass: 613.26019
Molecular Weight: 614.2017
Elemental Analysis: C, 58.66; H, 6.56; Cl, 5.77; N, 15.96; O, 7.81; S, 5.22
TAE684, purity > 98%, is in stock. The same day shipping out after order is received.
Synonym: TAE 684, TAE684, TAE-684, NVP-TAE 684, NVP-TAE684, NVP-TAE-684
IUPAC/Chemical Name: 5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)pyrimidine-2,4-diamine
InChi Key: QQWUGDVOUVUTOY-UHFFFAOYSA-N
InChi Code: 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)
SMILES Code: CN1CCN(C2CCN(C3=CC=C(NC4=NC=C(Cl)C(NC5=CC=CC=C5S(=O)(C(C)C)=O)=N4)C(OC)=C3)CC2)CC1
The following data is based on the product molecular weight 614.2017 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
---|---|---|---|
1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
1: Zhang J, Deng X, Choi HG, Alessi DR, Gray NS. Characterization of TAE684 as a potent LRRK2 kinase inhibitor. Bioorg Med Chem Lett. 2012 Mar 1;22(5):1864-9. doi: 10.1016/j.bmcl.2012.01.084. Epub 2012 Jan 28. PubMed PMID: 22335897; PubMed Central PMCID: PMC3433743.
2: Schönherr C, Ruuth K, Yamazaki Y, Eriksson T, Christensen J, Palmer RH, Hallberg B. Activating ALK mutations found in neuroblastoma are inhibited by Crizotinib and NVP-TAE684. Biochem J. 2011 Dec 15;440(3):405-13. doi: 10.1042/BJ20101796. PubMed PMID: 21838707.
3: Galkin AV, Melnick JS, Kim S, Hood TL, Li N, Li L, Xia G, Steensma R, Chopiuk G, Jiang J, Wan Y, Ding P, Liu Y, Sun F, Schultz PG, Gray NS, Warmuth M. Identification of NVP-TAE684, a potent, selective, and efficacious inhibitor of NPM-ALK. Proc Natl Acad Sci U S A. 2007 Jan 2;104(1):270-5. Epub 2006 Dec 21. Erratum in: Proc Natl Acad Sci U S A. 2007 Feb 6;104(6):2025. PubMed PMID: 17185414; PubMed Central PMCID: PMC1765448.