3033586-04-5
Chemical Structure
SMD-1087
- CAS No.: 3033586-04-5
- Formula:C56H68ClN7O5S
- Molecular Weight:986.70
InChIKey: VHTCCGAJVGXIRY-RZMWLZPDSA-N
SMILES: C[C@H](NC([C@@H]1C[C@H](CN1C([C@@H](NC([C@@H]2CC[C@H](CC2)CN3CCC(CC3)C4=CC(N5C6=C7C(Cl)=CC=C6)=C(C=C4)C8(CCCCC8)C5=NC7=O)=O)C(C)(C)C)=O)O)=O)C9=CC=C(C=C9)C%10=C(C)N=CS%10
Biological Activity: SMD-1087 is a PROTAC that selectively targets SMARCA2 (DC50=8 nM, Dmax=89%) and SMARCA4 with a DC50 of 1 μM. SMD-1087 consists of the E3 ligase ligand (S,R,S)-AHPC-Me (blue part) (HY-112078), the target protein ligand SMI-1074 (red part) (HY-170817), and the PROTAC linker (1r,4r)-tert-Butyl 4-(bromomethyl)cyclohexanecarboxylate (black part) (HY-W890392). Among them, its target protein ligand + Linker part corresponds to SMARCA2 Ligand-Linker Conjugate-1 (HY-170829)[1].
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SMD-1087 | SMD-1087 is a PROTAC that selectively targets SMARCA2 (DC50=8 nM, Dmax=89%) and SMARCA4 with a DC50 of 1 μM. SMD-1087 consists of the E3 ligase ligand (S,R,S)-AHPC-Me (blue part) (HY-112078), the target protein ligand SMI-1074 (red part) (HY-170817), and the PROTAC linker (1r,4r)-tert-Butyl 4-(bromomethyl)cyclohexanecarboxylate (black part) (HY-W890392). Among them, its target protein ligand + Linker part corresponds to SMARCA2 Ligand-Linker Conjugate-1 (HY-170829). | |||||||||||||||||||||
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Keywords
