Name: S2116
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323281
Cas No:2262489-89-2
常用名:S2116
IUPAC:1-[(3S)-3-aminopyrrolidin-1-yl]-2-{[(1R,2S)-2-[2-(benzyloxy)-3,5-difluorophenyl]cyclopropyl]amino}ethan-1-one hydrochloride
IUPAC:1-[(3S)-3-aminopyrrolidin-1-yl]-2-{[(1R,2S)-2-[2-(benzyloxy)-3,5-difluorophenyl]cyclopropyl]amino}ethan-1-one hydrochloride
InChI key:URJCALSITIJIDU-AXKMXRCYSA-N

分子式:C22H26ClF2N3O2
分子量:437.92
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.N[C@H]1CCN(C1)C(=O)CN[C@@H]1C[C@H]1c1cc(F)cc(F)c1OCc1ccccc1
SMILES:Cl.N[C@H]1CCN(C1)C(=O)CN[C@@H]1C[C@H]1c1cc(F)cc(F)c1OCc1ccccc1

S2116 is a powerful inhibitor of lysine-specific demethylase 1 (LSD1), and it is a derivative of N-alkylated tranylcypromine (TCP). S2116 exhibits its inhibitory effects by increasing H3K9 methylation and inducing reciprocal H3K27 deacetylation at super-enhancer regions. In TCP-resistant T-cell acute lymphoblastic leukemia (T-ALL) cells, S2116 triggers apoptosis by repressing the transcription of NOTCH3 and TAL1 genes. Furthermore, S2116 demonstrates significant growth retardation of T-ALL cells when xenotransplanted into mice.

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