CAS 2251773-94-9
:Entrectinib-d8
Description:
Entrectinib-d8 is a deuterated form of the drug entrectinib, which is a selective inhibitor of tropomyosin receptor kinases (TRKs) and is primarily used in the treatment of certain types of cancer, particularly those with neurotrophic tyrosine receptor kinase (NTRK) gene fusions. The "d8" designation indicates that this compound contains eight deuterium atoms, which are isotopes of hydrogen, replacing the regular hydrogen atoms in the molecular structure. This modification can enhance the stability and pharmacokinetic properties of the drug, making it useful for research purposes, particularly in studies involving drug metabolism and pharmacodynamics. Entrectinib-d8 retains the core characteristics of the parent compound, including its mechanism of action and therapeutic targets, while allowing for more precise tracking in biological systems due to the presence of deuterium. As a research tool, it aids in understanding the drug's behavior in vivo and can help in the development of more effective cancer therapies.
Formula:C31H26D8F2N6O2
InChI:InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)/i8D2,9D2,10D2,11D2
InChI key:HAYYBYPASCDWEQ-JNJBWJDISA-N
SMILES:[2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])C2=CC(=C(C=C2)C(=O)NC3=NNC4=C3C=C(C=C4)CC5=CC(=CC(=C5)F)F)NC6CCOCC6)([2H])[2H])[2H]
Synonyms:- Entrectinib-d8
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Entrectinib-D8
CAS:Entrectinib-D8 is the deuterated form of Entrectinib. Entrectinib (T3678) (NMS-E628) is an orally bioavailable inhibitor that effectively crosses the blood-brain barrier and exhibits central nervous system activity. It targets TrkA/B/C, ROS1, and ALK with IC50 values of 1, 3, 5, 12, and 7 nM, respectively. Entrectinib (T3678) induces apoptosis and cell cycle arrest in cancer cells, demonstrates antitumor properties, and alleviates bleomycin-induced pulmonary fibrosis in mice.Formula:C31H34F2N6O2Molecular weight:568.69
