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Chemical structure of S2157

GC64902

S2157

Also known as 2-[[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride

S2157, a N-alkylated tranylcypromine (TCP) derivative, is a potent lysine-specific demethylase 1 (LSD1) inhibitor· S2157 increases H3K9 methylation and reciprocal H3K27 deacetylation at super-enhancer regions· S2157 induces apoptosis in TCP-resistant T-cell acute lymphoblastic leukemia (T-ALL) cells by repressing transcription of the NOTCH3 and TAL1 genes· S2157 efficiently pass through the blood-brain barrier and can almost completely eradicate CNS leukemia in mice transplanted with T-ALL cells

ChemicalCAS2262488-39-9MW451.94FormulaC23H28ClF2N3O2
CAS number
2262488-39-9
Molecular weight
451.94
Formula
C23H28ClF2N3O2
InChIKey
PUXYOFXCUCMFSQ-OZYANKIXSA-N
Catalogue number
GC64902
Brand
GLPBIO
Computed properties PubChem CID 141709235 · TPSA 44.8 Ų · H-bond donors 2 · H-bond acceptors 6
TPSA
44.8 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
31

SMILES CN1CCN(CC1)C(=O)CN[C@@H]2C[C@H]2C3=C(C(=CC(=C3)F)F)OCC4=CC=CC=C4.Cl

Computed descriptors from PubChem (CID 141709235), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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