| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| Other Sizes |
|
| Targets |
LSD1[1]
|
|---|---|
| ln Vitro |
S2116 exhibits exceptional efficacy against T-ALL cell lines, as evidenced by IC50 values ranging from 1.1 µM for human T-ALL cell lines CEM to 6.8 µM for MOLT4[1]. S2116 (4–20 µM; 72 hours) inhibits normal T-cells that have been stimulated by mitogens in a modest way[1]. In T-ALL cells, S2116 (4–8 µM; 24 hours) causes apoptosis and suppresses the production of the proteins TAL1 and NOTCH3[1].
|
| ln Vivo |
The subcutaneous tumors treated with S2116 (50 mg/kg; IP; three times a week; for 28 days) shrink to less than 20% of the untreated control's size[1]. AUC of 59.2 μM·h, T1/2 of 3.76 hours, and Cmax of 12.7 μM are recorded for S2116 (50 mg/kg; IP)[1].
|
| Cell Assay |
Cell Viability Assay[1]
Cell Types: Normal T-lymphocytes Tested Concentrations: 4, 8, 12, 16, 20 µM Incubation Duration: For 72 hrs (hours) Experimental Results: Modestly inhibited mitogen-activated normal T -lymphocytes. Apoptosis Analysis[1] Cell Types: T-cell acute lymphoblastic leukemia (T-ALL) cells Tested Concentrations: 4, 6, 8 µM Incubation Duration: For 24 hrs (hours) Experimental Results: Induced apoptosis, as evidenced by increased annexin-V reactivity on flow cytometry in T-ALL cells in a dose- and time-dependent manner without affecting cell cycle distribution. Western Blot Analysis[1] Cell Types: T-ALL cells Tested Concentrations: 4, 6, 8 µM Incubation Duration: For 24 hrs (hours) Experimental Results: Down-regulated the expression of NOTCH3 and TAL1 proteins in T-ALL cells. |
| Animal Protocol |
Animal/Disease Models: Nonobese diabetic/severe combined immunodeficiency (NOD/SCID) mice with MOLT4 cells[1]
Doses: 50 mg/kg Route of Administration: IP; 3 times a week; for 28 days Experimental Results: The size of subcutaneous (sc)tumors diminished to less than 20% of that in the untreated control . Animal/Disease Models: 8weeks old ICR mice[1] Doses: 50 mg/kg (pharmacokinetic/PK Analysis) Route of Administration: IP Experimental Results: Had a T1/2 of 3.76 hrs (hours), a Cmax of 12.7 μM and an AUC of 59.2 μM• h. |
| References |
| Molecular Formula |
C22H26CLF2N3O2
|
|---|---|
| Molecular Weight |
437.91
|
| Exact Mass |
437.168
|
| CAS # |
2262489-89-2
|
| PubChem CID |
141709216
|
| Appearance |
Off-white to light yellow solid powder
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
7
|
| Heavy Atom Count |
30
|
| Complexity |
560
|
| Defined Atom Stereocenter Count |
3
|
| SMILES |
N([C@@H]1C[C@H]1C1C=C(F)C=C(F)C=1OCC1C=CC=CC=1)CC(N1C[C@@H](N)CC1)=O.Cl
|
| 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
|
| Chemical Name |
1-[(3S)-3-aminopyrrolidin-1-yl]-2-[[(1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropyl]amino]ethanone;hydrochloride
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO : 100 mg/mL (228.36 mM)
|
|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2836 mL | 11.4179 mL | 22.8357 mL | |
| 5 mM | 0.4567 mL | 2.2836 mL | 4.5671 mL | |
| 10 mM | 0.2284 mL | 1.1418 mL | 2.2836 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
