MedKoo Cat#: 462309 | Name: S2116

Description:

WARNING: This product is for research use only, not for human or veterinary use.

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.

Chemical Structure

S2116
S2116
CAS#2262489-89-2

Theoretical Analysis

MedKoo Cat#: 462309

Name: S2116

CAS#: 2262489-89-2

Chemical Formula: C22H26ClF2N3O2

Exact Mass: 437.1682

Molecular Weight: 437.92

Elemental Analysis: C, 60.34; H, 5.98; Cl, 8.10; F, 8.68; N, 9.60; O, 7.31

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
Bulk Inquiry
Related CAS #
No Data
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 437.92 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.

Recalculate based on batch purity %
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