(3S,4S)-Tofacitinib

Cat. No.: HY-40354C Purity: 99.75%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

(3S,4S)-Tofacitinib is the less active S-enantiomer of Tofacitinib. Tofacitinib inhibits JAK3 with IC₅₀ of 1 nM.

For research use only. We do not sell to patients.

(3S,4S)-Tofacitinib Chemical Structure

CAS No. : 1092578-47-6

Size	Price	Stock	Quantity
5 mg	USD 200	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 320	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 650	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 1050	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 1680	In-stock	Estimated Time of Arrival: December 31
200 mg		Get quote
500 mg		Get quote

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Other Forms of (3S,4S)-Tofacitinib:

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JAK1 JAK2 JAK3 Tyk2 JAK

Biological Activity
Purity & Documentation
Customer Review

Description

(3S,4S)-Tofacitinib is the less active S-enantiomer of Tofacitinib. Tofacitinib inhibits JAK3 with IC₅₀ of 1 nM.

Cellular Effect

Cell Line	Type	Value	Description	References
Sf9	IC₅₀	43 nM Compound: 1a	Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA	[PMID: 21105711]
T-cell	IC₅₀	580 nM Compound: 1a	Inhibition of human IL2-dependent T cell blast proliferation assessed as reduction in [3H]thymidine incorporation after 72 hrs post dose IL2 blast assay Inhibition of human IL2-dependent T cell blast proliferation assessed as reduction in [3H]thymidine incorporation after 72 hrs post dose IL2 blast assay	[PMID: 21105711]

Molecular Weight

312.37

Formula

C₁₆H₂₀N₆O

CAS No.

1092578-47-6

Appearance

Solid

Color

Off-white to pink

SMILES

CN(C1=NC=NC2=C1C=CN2)[C@H]3[C@@H](C)CCN(C(CC#N)=O)C3

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	2 years
	-20°C	1 year

Solvent & Solubility

In Vitro:

DMSO : ≥ 100 mg/mL (320.13 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

H₂O : < 0.1 mg/mL (insoluble)

*"≥" means soluble, but saturation unknown.

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	3.2013 mL	16.0067 mL	32.0133 mL
5 mM	0.6403 mL	3.2013 mL	6.4027 mL
10 mM	0.3201 mL	1.6007 mL	3.2013 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

Molarity Calculator
Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.5 mg/mL (8.00 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (8.00 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 2.5 mg/mL (8.00 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 99.75%

Select Batch:

Data Sheet (249 KB) SDS (393 KB)

COA (253 KB) LCMS (95 KB)

Handling Instructions (2659 KB)

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	3.2013 mL	16.0067 mL	32.0133 mL	80.0333 mL
	5 mM	0.6403 mL	3.2013 mL	6.4027 mL	16.0067 mL
	10 mM	0.3201 mL	1.6007 mL	3.2013 mL	8.0033 mL
	15 mM	0.2134 mL	1.0671 mL	2.1342 mL	5.3356 mL
	20 mM	0.1601 mL	0.8003 mL	1.6007 mL	4.0017 mL
	25 mM	0.1281 mL	0.6403 mL	1.2805 mL	3.2013 mL
	30 mM	0.1067 mL	0.5336 mL	1.0671 mL	2.6678 mL
	40 mM	0.0800 mL	0.4002 mL	0.8003 mL	2.0008 mL
	50 mM	0.0640 mL	0.3201 mL	0.6403 mL	1.6007 mL
	60 mM	0.0534 mL	0.2668 mL	0.5336 mL	1.3339 mL
	80 mM	0.0400 mL	0.2001 mL	0.4002 mL	1.0004 mL
	100 mM	0.0320 mL	0.1601 mL	0.3201 mL	0.8003 mL