Description
S2116, a N-alkylated tranylcypromine (TCP) derivative, is a potent lysine-specific demethylase 1 (LSD1) inhibitor. S2116 increases H3K9 methylation and reciprocal H3K27 deacetylation at super-enhancer regions. S2116 induces apoptosis in TCP-resistant T-cell acute lymphoblastic leukemia (T-ALL) cells by repressing transcription of the NOTCH3 and TAL1 genes. S2116 significantly retardes the growth of T-ALL cells in xenotransplanted mice.
Product information
CAS Number: 2262489-89-2
Molecular Weight: 437.91
Formula: C22H26ClF2N3O2
Chemical Name: 1-[(3S)-3-aminopyrrolidin-1-yl]-2-{[(1R,2S)-2-[2-(benzyloxy)-3,5-difluorophenyl]cyclopropyl]amino}ethan-1-one hydrochloride
Smiles: Cl.N[C@@H]1CN(CC1)C(=O)CN[C@@H]1C[C@H]1C1=CC(F)=CC(F)=C1OCC1C=CC=CC=1
InChiKey: URJCALSITIJIDU-AXKMXRCYSA-N
InChi: InChI=1S/C22H25F2N3O2.ClH/c23-15-8-18(22(19(24)9-15)29-13-14-4-2-1-3-5-14)17-10-20(17)26-11-21(28)27-7-6-16(25)12-27;/h1-5,8-9,16-17,20,26H,6-7,10-13,25H2;1H/t16-,17-,20+;/m0./s1
Technical Data
Appearance: Solid Power
Purity: ≥98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis
Storage Condition: Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.
Shelf Life: ≥12 months if stored properly.
Stock Solution Storage: 0 - 4 oC for 1 month or refer to the Certificate of Analysis.
Drug Formulation: To be determined
HS Tariff Code: 382200
How to use
In Vitro:
S2116 is particularly effective for T-ALL cell lines with the IC50 values between 1.1 µM for human T-ALL cell lines CEM and 6.8 µM for MOLT4. S2116 (4-20 µM; 72 hours) modestly inhibits mitogen-activated normal T-lymphocytes. S2116 (4-8 µM; 24 hours) induces apoptosis and down-regulates the expression of NOTCH3 and TAL1 proteins in T-ALL cells.
In Vivo:
S2116 (50 mg/kg; IP; 3 times a week; for 28 days) causes the size of subcutaneous tumors reduced to less than 20% of that in the untreated control. S2116 (50 mg/kg; IP) has a T1/2 of 3.76 hours, a Cmax of 12.7 μM and an AUC of 59.2 μM•h.
Products are for research use only. Not for human use.
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