GSK-1120212- CAS 871700-17-3

Trametinib(cas# 871700-17-3), also known as GSK1120212, is a n orally bioavailable inhibitor of mitogen-activated protein kinase kinase (MEK MAPK/ERK kinase) with potential antineoplastic activity. Trametinib specifically binds to and inhibits MEK 1 and 2, resulting in an inhibition of growth factor-mediated cell signaling and cellular proliferation in various cancers. MEK 1 and 2, dual specificity threonine/tyrosine kinases often upregulated in various cancer cell types, play a key role in the activation of the RAS/RAF/MEK/ERK signaling pathway that regulates cell growth. On May 29, 2013, FDA approved T rametinib.

Catalog Number: A000905

CAS Number: 871700-17-3

PubChem Substance ID:350078979

Molecular Formula: C₂₆H₂₃FIN₅O₄

Molecular Weight:615.39

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

• Synonyms: JTP-74057; GSK1120212

Property

• Molecular Formula: C₂₆H₂₃FIN₅O₄
• Molecular Weight: 615.39
• Target: MEK1/2
• Solubility: 10 mM in DMSO
• Purity: ≥95%
• Storage: 3 years -20C powder
• MDL: MFCD17215075
• Overview of Clinical Research: Originator: Japan Tobacco Developer: Dana-Farber Cancer Institute; GlaxoSmithKline; Japan Tobacco; National Cancer Institute (USA); Novartis; Pfizer; University of Texas M. D. Anderson Cancer Center Class: 2 ring heterocyclic compounds; Amides; Antineoplastics; Cyclopropanes; Fluorobenzenes; Iodobenzenes; Pyridines; Pyrimidines; Small molecules Mechanism of Action: MAP kinase kinase 1 inhibitors; MAP kinase kinase 2 inhibitors Orphan Drug Status: Yes – Malignant melanoma
• IC50: 0.92 nM/1.8 nM (MEK1/2)

Computed Descriptor

• InChI: InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)
• InChIKey: LIRYPHYGHXZJBZ-UHFFFAOYSA-N
• SMILES: CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC(=CC=C4)NC(=O)C)C5CC5