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Chemical structure of RM-018

GC63562

RM-018

Also known as (3S)-N-[(2S)-1-[[(8S,14S)-22-ethyl-21-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.12,6.110,14.023,27]nonacosa-1(26),2,4,6(29),20,23(27),24-heptaen-8-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methyl-1-(4-morpholin-4-ylbut-2-ynoyl)pyrrolidine-3-carboxamide

RM-018 is a potent, functionally distinct tricomplex KRASG12C active-state inhibitor· RM-018 retains the ability to bind and inhibit KRASG12C/Y96D and could overcome resistance· RM-018 binds specifically to the GTP-bound, active [“RAS(ON)”] state of KRASG12C

ChemicalCAS2641993-55-5MW985.22FormulaC56H72N8O8
CAS number
2641993-55-5
Molecular weight
985.22
Formula
C56H72N8O8
InChIKey
KXMPBNBAZLJBDS-GUZCBZAASA-N
Catalogue number
GC63562
Brand
GLPBIO
Computed properties PubChem CID 161776064 · XLogP 5.8 · TPSA 168 Ų · H-bond donors 2
XLogP
5.8
TPSA
168 Ų
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
10
Heavy atoms
72

SMILES CCN1C2=C3C=C(C=C2)C4=CC=CC(=C4)C[C@@H](C(=O)N5CCC[C@H](N5)C(=O)OCC(CC3=C1C6=C(N=CC=C6)[C@H](C)OC)(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]7CCN(C7)C(=O)C#CCN8CCOCC8

Computed descriptors from PubChem (CID 161776064), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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