Selumetinib

Description: Selumetinib / AZD6244 is a potent, highly selective MEK inhibitor with IC50 of 14 nM for MEK1 and Kd value of 530 nM for MEK2. It also inhibits ERK1/2 phosphorylation with IC50 of 10 nM, no inhibition to p38α, MKK6, EGFR, ErbB2, ERK2, B-Raf, etc. Phase 3.

• Catalog: OFC606143526
• CAS: 606143-52-6
• Category: Fluorinated APIs
• Synonyms: (AZD6244
• Purity: >98%

• IUPAC Name: 6-(4-bromo-2-chloroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide
• InChI: InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)
• InChI Key: CYOHGALHFOKKQC-UHFFFAOYSA-N
• Isomeric SMILES: CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO
• EC Number: 641-434-6

• Molecular Formula: C17H15BrClFN4O3
• Molecular Weight: 457.68
• Appearance: White to off-white solid powder

• XLogP3-AA: 3.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 456.00001 g/mol
• Monoisotopic Mass: 456.00001 g/mol
• Topological Polar Surface Area: 88.4Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 523