Structure

RMC-4998

CAS
2642037-07-6
Catalog Number
ACM-MG-2642037076
Category
Molecular Glues
Molecular Weight
983.25
Molecular Formula
C57H74N8O7

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Specification

Description
RMC-4998 is a molecular glue compound exhibiting potent antitumor activity, capable of forming a ternary complex with CYPA and an activated KRAS G12C mutation. Binding of CYPA to KRAS G12C impedes the interaction between activated KRAS mutants and downstream effector proteins, thus obstructing proliferative cell signaling.
IUPAC Name
(2S)-2-[(5S)-7-[4-(dimethylamino)-4-methylpent-2-ynoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N-[(8S,14S)-22-ethyl-21-[2-[(1S)-1-methoxyethyl]pyridin-3-yl]-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]-3-methylbutanamide
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)N7CC[C@@]8(C7=O)CCN(C8)C(=O)C#CC(C)(C)N(C)C
InChI
InChI=1S/C57H74N8O7/c1-12-63-46-21-20-40-32-42(46)43(50(63)41-18-14-26-58-48(41)37(4)71-11)33-55(5,6)35-72-53(69)44-19-15-27-65(60-44)52(68)45(31-38-16-13-17-39(40)30-38)59-51(67)49(36(2)3)64-29-25-57(54(64)70)24-28-62(34-57)47(66)22-23-56(7,8)61(9)10/h13-14,16-18,20-21,26,30,32,36-37,44-45,49,60H,12,15,19,24-25,27-29,31,33-35H2,1-11H3,(H,59,67)/t37-,44-,45-,49-,57-/m0/s1
InChI Key
VYZILERTWJIGRC-DOESOIHZSA-N
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