WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 462309
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.
MedKoo Cat#: 462309
Chemical Formula: C22H26ClF2N3O2
Exact Mass: 437.1682
Molecular Weight: 437.9158
Elemental Analysis: C, 60.34; H, 5.98; Cl, 8.10; F, 8.68; N, 9.60; O, 7.31
This product is not in stock, which may be available by custom synthesis.
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Synonym: S2116; S-2116; S 2116
IUPAC/Chemical Name: 1-((S)-3-aminopyrrolidin-1-yl)-2-(((1R,2S)-2-(2-(benzyloxy)-3,5-difluorophenyl)cyclopropyl)amino)ethan-1-one hydrochloride
InChi Key: URJCALSITIJIDU-AXKMXRCYSA-N
InChi Code: 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
SMILES Code: FC1=CC(F)=C(OCC2=CC=CC=C2)C([C@H]3[C@H](NCC(N4C[C@@H](N)CC4)=O)C3)=C1.[H]Cl
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >3 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 437.9158 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
|Concentration / Solvent Volume / Mass||1 mg||5 mg||10 mg|
|1 mM||1.15 mL||5.76 mL||11.51 mL|
|5 mM||0.23 mL||1.15 mL||2.3 mL|
|10 mM||0.12 mL||0.58 mL||1.15 mL|
|50 mM||0.02 mL||0.12 mL||0.23 mL|
1: Saito S, Kikuchi J, Koyama D, et al. Eradication of Central Nervous System Leukemia of T-Cell Origin with a Brain-Permeable LSD1 Inhibitor. Clin Cancer Res. 2019;25(5):1601-1611. doi:10.1158/1078-0432.CCR-18-0919