For research use only. Not for therapeutic Use.
RAS/RAS‑RAF‑IN‑1（Cat No.:I044643）is a dual-targeted small-molecule inhibitor that disrupts both RAS and RAF kinases, interrupting the RAS‑RAF‑MEK‑ERK signaling cascade critical for cell proliferation. It binds RAS–RAF complexes and cyclophilin A with KD in the 5–15 µM range. In vitro, it blocks BRAF‑GTP–KRAS‑G12C interaction (EC₅₀ ≈ 0.5–5 µM) and inhibits pERK in H358 lung adenocarcinoma cells (IC₅₀ ≈ 1–10 µM). With confirmed antitumor activity in preclinical models, it serves as a valuable tool for studying oncogenic RAS‑RAF signaling and assessing therapeutic potential in RAS‑driven cancers .
| CAS Number | 2447039-81-6 |
| 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 |
| Molecular Formula | C45H57N7O7 |
| Purity | ≥95% |
| IUPAC Name | (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@@H](C(=O)N[C@H]1CC2=CC(=CC(=C2)O)C3=CC4=C(C=C3)C(=CN4CC(COC(=O)[C@@H]5CCCN(C1=O)N5)(C)C)C(C)(C)C#N)N(C)C(=O)[C@H]6CCN(C6)C(=O)C=C |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
