RAS/RAS-RAF-IN-1

• CAT Number: I044643
• CAS Number: 2447039-81-6
• Molecular Formula: C45H57N7O7
• Molecular Weight: 807.98
• Purity: ≥95%
• Synonyms: (3S)-N-[(2S)-1-[[(8S,14S)-22-(2-cyanopropan-2-yl)-4-hydroxy-18,18-dimethyl-9,15-dioxo-16-oxa-10,20,28-triazapentacyclo[18.5.2.12,6.110,14.023,27]nonacosa-1(26),2,4,6(29),21,23(27),24-heptaen-8-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methyl-1-prop-2-enoylpyrrolidine-3-carboxamide
• InChI: InChI=1S/C45H57N7O7/c1-9-38(54)50-16-14-30(22-50)41(56)49(8)39(27(2)3)40(55)47-36-19-28-17-31(20-32(53)18-28)29-12-13-33-34(45(6,7)24-46)23-51(37(33)21-29)25-44(4,5)26-59-43(58)35-11-10-15-52(48-35)42(36)57/h9,12-13,17-18,20-21,23,27,30,35-36,39,48,53H,1,10-11,14-16,19,22,25-26H2,2-8H3,(H,47,55)/t30-,35-,36-,39-/m0/s1
• InChIKey: RCXSKUOUWMZVFF-NXCZKTMTSA-N
• SMILES: CC(C)C(C(=O)NC1CC2=CC(=CC(=C2)O)C3=CC4=C(C=C3)C(=CN4CC(COC(=O)C5CCCN(C1=O)N5)(C)C)C(C)(C)C#N)N(C)C(=O)C6CCN(C6)C(=O)C=C

RAS/RAS-RAF-IN-1 is a potent RAS and RAS-RAF inhibitor. RAS/RAS-RAF-IN-1 has a KD of 5.0 μΜ-15 μΜ for cyclophilin A (CYPA) binding affinity. RAS/RAS-RAF-IN-1 has antitumor activity[1].
RAS/RAS-RAF-IN-1 (compound 89; for 4 hours) has an EC50 of 0.5 μΜ-5.0 μΜ for BRAF-GTP-KRAS-G12C disruption and has an IC50 of 1.0 μΜ-10 μΜ for pERK inhibition in H358 cells[1].

Reference

[1]. Meizhong Jin, et al. Compounds that participate in cooperative binding and uses thereof. WO2020132597A1.