B-Raf IN 1

• CAT Number: I005645
• CAS Number: 950736-05-7
• Molecular Formula: C29H24F3N5O
• Molecular Weight: 515.53
• Purity: ≥95%
• Synonyms: (Z)-N-(3-(3-(4-((dimethylamino)methyl)phenyl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzimidic acid
• Target: Raf
• Solubility: DMSO: ≥ 53 mg/mL
• Storage: Store at -20°C
• IC50: 24 nM (B-Raf); 25 nM (C-Raf)
• InChI: InChI=1S/C29H24F3N5O/c1-36(2)18-19-9-11-20(12-10-19)25-17-34-37-26(13-14-33-27(25)37)21-5-4-8-24(16-21)35-28(38)22-6-3-7-23(15-22)29(30,31)32/h3-17H,18H2,1-2H3,(H,35,38)
• InChIKey: AIWJVLQNYNCDSL-UHFFFAOYSA-N
• SMILES: O=C(NC1=CC=CC(C2=CC=NC3=C(C4=CC=C(CN(C)C)C=C4)C=NN23)=C1)C5=CC=CC(C(F)(F)F)=C5

B-Raf IN 1 is a highlt potent and selective B-Raf inhibitor with IC50 of 24 nM; equipotent against c-Raf (IC50= 25 nM).


B-Raf IN 1 was equipotent against c-Raf (IC50: 0.025 lM) Moderate selectivity was observed for compound 10n versus p38a (IC50: 0.216 lM) and CAMKII (IC50: 0.822 lM), while high selectivity was observed versus CDK2, CDK4, PKCa, IKKb, JNK1, MK2, PKA, Src, MKK6, PLK1, p70S6K, PI3 Ka, and PDK1 (IC50s: >2 lM).

Reference

1:Immunohistochemical testing of BRAF V600E status in 1,120 tumor tissue samples of patients with brain metastases. Capper D, Berghoff AS, Magerle M, Ilhan A, Wöhrer A, Hackl M, Pichler J, Pusch S, Meyer J, Habel A, Petzelbauer P, Birner P, von Deimling A, Preusser M.Acta Neuropathol. 2012 Feb;123(2):223-33. doi: 10.1007/s00401-011-0887-y. Epub 2011 Oct 20. PMID: 22012135 2:Analysis of BRAF V600E mutation in 1,320 nervous system tumors reveals high mutation frequencies in pleomorphic xanthoastrocytoma, ganglioglioma and extra-cerebellar pilocytic astrocytoma. Schindler G, Capper D, Meyer J, Janzarik W, Omran H, Herold-Mende C, Schmieder K, Wesseling P, Mawrin C, Hasselblatt M, Louis DN, Korshunov A, Pfister S, Hartmann C, Paulus W, Reifenberger G, von Deimling A.Acta Neuropathol. 2011 Mar;121(3):397-405. doi: 10.1007/s00401-011-0802-6. Epub 2011 Jan 29. PMID: 21274720