Name: SMI-4a
Brand: Selleck Chemicals
SKU: S8005
Rating: 5 (12 reviews)

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Quality Control

Batch: Purity: 99.04%

99.04

Related Targets	EGFR JAK STAT
Other Pim Inhibitors	SGI-1776 free base AZD1208 PIM447 (LGH447) Hydrochloride CX-6258 HCl Uzansertib (INCB053914) TP-3654 Hispidulin SMI-16a TCS PIM-1 1 Quercetagetin

Cell Culture, Treatment & Working Concentration

Cell Lines	Assay Type	Concentration	Incubation Time	Activity Description
human PC3 cells	Proliferation assay		48 h	Antiproliferative activity against human PC3 cells after 48 hrs by MTS assay, IC50=17 μM
DLD-1 cell	Function assay		96 h	Inhibition of growth of DLD-1 cell line after 96 hours of exposure time with the compound dissolved in DMSO, IC50=17.8 μM
HT-29 cell	Function assay			Inhibition of growth of HT-29 cell line after 72+72 hours of exposure time with the compound dissolved in DMSO, IC50=31.4 μM
HCT116 cell	Function assay		72 h	Inhibition of growth of HCT116 cell line after 72 hours of exposure time with the compound dissolved in DMSO, IC50=48.8 μM
HEK293T cells	Function assay	0.5 μM	1 h	Inhibition of human recombinant Flag-Pim1 autophosphorylation expressed in HEK293T cells labeled with [32PO4] at 0.5 uM after 1hr by Western blotting
Click to View More Cell Line Experimental Data

Chemical Information, Storage & Stability

Molecular Weight	273.23	Formula	C₁₁H₆F₃NO₂S	Storage (From the date of receipt)	3 years-20°Cpowder
CAS No.	438190-29-5	Download SDF		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent
Synonyms	TCS PIM-1 4a			Smiles	C1=CC(=CC(=C1)C(F)(F)F)C=C2C(=O)NC(=O)S2

Solubility

In vitro
Batch:

DMSO : 55 mg/mL (201.29 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Ethanol : 23 mg/mL

Water : Insoluble

Molarity Calculator

Mass	Concentration	Volume	Molecular Weight
=	×	×

Dilution Calculator Molecular Weight Calculator

In vivo Batch:
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Clear solution	5%DMSO 1 40%PEG300 2 5%Tween80 3 50%ddH2O Validated by Selleck labs. Should you need adjustments to this formulation, contact our sales team for custom testing.	2.500mg/ml (9.15mM)	Taking the 1 mL working solution as an example, add 50 μL of 50 mg/ml clarified DMSO stock solution to 400 μL PEG300, mix evenly to clarify it; add 50 μL Tween80 to the above system, mix evenly to clarify it; then continue to add 500 μL ddH2O to adjust the volume to 1 mL. The mixed solution should be used immediately for optimal results.
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal making an allowance for loss during the experiment)

Dosage: mg/kg Average weight of animals: g Dosing volume per animal:μL Number of animals:

Step 2: Enter the in vivo formulation (This is only the calculator, not formulation. Please contact us first if there is no in vivo formulation at the solubility Section.)

% DMSO + % + % Tween 80 + % ddH₂O

%DMSO+ %

Calculation results:

Working concentration: mg/ml;

Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO ( Master liquid 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 master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

Note: 1. Please make sure the liquid is clear before adding the next solvent.
2. Be sure to add the solvent(s) in order. You must ensure that the solution obtained, in the previous addition, is a clear solution before proceeding to add the next solvent. Physical methods such as vortex, ultrasound or hot water bath can be used to aid dissolving.

Mechanism of Action

Features	SMI-4a (5μM) synergizes with rapamycin (5 nM) to cause significant growth inhibition of leukemic cells.
Targets/IC₅₀/Ki	Pim1 (Cell-free assay) 17 nM
In vitro	SMI-4a is an ATP competitive inhibitor of Pim1 with IC50 of 17 nM. This compound shows high selectivity for Pim1 against a panel of kinases. It inhibits the in vitro phosphorylation by Pim-1 of the known substrate, the translational repressor 4E-BP1. This chemical (5μM) inhibits pancreatic and leukemic cells growth. It reduces phosphorylation of the Pim target Bad in prostate and hematopoietic cells. This compound causes cell cycle arrest and reverses the antiapoptotic activity of Pim-1. It increases the amount of p27Kip1 in the nucleus. Its treatment of pre-T-LBL inhibits the mTOR pathway. This compound reduces MYC protein expression in pre-T-LBL. Its treatment induces up-regulation of MAPK pathway.
In vivo	SMI-4a (60 mg/Kg) treatment twice daily significantly reduce tumour size and is well tolerated. Tumours harvested 1 hour after the final oral gavage of this compound demonstrates decreased phosphorylation of p70 S6K compared with tumours from mice treated with vehicle, whereas in comparison total p70 S6K expression is unchanged.
References	[1] http://www.ncbi.nlm.nih.gov/pubmed/?term=19509254 [2] http://www.ncbi.nlm.nih.gov/pubmed/?term=19965690

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Handling Instructions

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SMI-4a Pim inhibitor

Chemical Structure

Molecular Weight: 273.23