1652561-87-9
Chemical Structure
SAH-SOS1A
- CAS No.: 1652561-87-9
- Formula:C100H159N27O28
- Molecular Weight:2187.50
IUPAC Name: (3S,6S,9S,12S,15S,21S)-1-((2S,5S,8S,11S,20S)-20-((6S,9S,12S,15S,21S)-6-acetamido-1-amino-12,15-dibenzyl-21-((S)-sec-butyl)-9-(3-guanidinopropyl)-1-imino-7,10,13,16,19-pentaoxo-2,8,11,14,17,20-hexaazadocosan-22-amido)-8-(2-amino-2-oxoethyl)-5-((R)-1-hydroxyethyl)-2-isobutyl-11,20-dimethyl-3,6,9,21-tetraoxo-1,4,7,10-tetraazacyclohenicos-15-en-11-yl)-21-(2-amino-2-oxoethyl)-6-(4-aminobutyl)-12,15-bis(2-carboxyethyl)-9-((R)-1-hydroxyethyl)-3-isobutyl-1,4,7,10,13,16,19-heptaoxo-2,5,8,11,14,17,20-heptaazadocosan-22-oic acid
InChIKey: IVWNCFWBZZQNEM-MTMGHKARSA-N
SMILES: O=C(N[C@H](C(NCC(N[C@@H]([C@@H](C)CC)C(N[C@](C(N[C@H](C(N[C@@](C(N[C@H](C1=O)CC(N)=O)=O)([H])[C@H](O)C)=O)CC(C)C)=O)(CCCC=CCCC[C@](C)(N1)C(N[C@@H](CC(C)C)C(N[C@@H](CCCCN)C(N[C@@H]([C@H](O)C)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCC(O)=O)C(NCC(N[C@H](C(O)=O)CC(N)=O)=O)=O)=O)=O)=O)=O)=O)C)=O)=O)=O)CC2=CC=CC=C2)[C@@H](NC([C@H](CCCNC(N)=N)NC([C@@H](NC(C)=O)CCCNC(N)=N)=O)=O)CC3=CC=CC=C3
Biological Activity: SAH-SOS1A is a peptide-based SOS1/KRAS protein interaction inhibitor. SAH-SOS1A binds to wild-type and mutant KRAS (G12D, G12V, G12C, G12S, and Q61H) with nanomolar affinity (EC50=106-175 nM), directly and independently blocks nucleotide association, impairs KRAS-driven cancer cell viability, and exerts its effects by on-mechanism blockade of the ERK-MAPK phosphosignaling cascade downstream of KRAS[1].
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SAH-SOS1A | SAH-SOS1A is a peptide-based SOS1/KRAS protein interaction inhibitor. SAH-SOS1A binds to wild-type and mutant KRAS (G12D, G12V, G12C, G12S, and Q61H) with nanomolar affinity (EC50=106-175 nM), directly and independently blocks nucleotide association, impairs KRAS-driven cancer cell viability, and exerts its effects by on-mechanism blockade of the ERK-MAPK phosphosignaling cascade downstream of KRAS. | |||||||||||||||||||||
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Keywords