Tofacitinib metabolite-1

Name: Tofacitinib metabolite-1
Brand: MedChemExpress
SKU: HY-136336
Rating: 4.5 (1 reviews)

Cat. No.: HY-136336 Purity: 99.59%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

Tofacitinib metabolite-1 is a metabolite of Tofacitinib, a JAK inhibitor. Tofacitinib metabolite-1 can be used in the pharmacokinetics and metabolism studies of tofacitinib.

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

Tofacitinib metabolite-1 Chemical Structure

CAS No. : 1640971-51-2

Size	Price	Stock	Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 319	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 319	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	USD 290	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 460	In-stock	Estimated Time of Arrival: December 31
50 mg		Get quote
100 mg		Get quote

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Customer Review

Based on 1 publication(s) in Google Scholar

1 Publications Citing Use of MCE Tofacitinib metabolite-1

•J Hepatol. 2021 Nov;75(5):1072-1082. [Abstract]

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Biological Activity
Purity & Documentation
References
Customer Review

Description

Tofacitinib metabolite-1 is a metabolite of Tofacitinib, a JAK inhibitor. Tofacitinib metabolite-1 can be used in the pharmacokinetics and metabolism studies of tofacitinib^[1]^[2].

Molecular Weight

328.37

Formula

C₁₆H₂₀N₆O₂

CAS No.

1640971-51-2

Appearance

Solid

Color

Light yellow to yellow

SMILES

CN([C@H]([C@@H](CC1)C)CN1C(CC#N)=O)C2=C(CC3=O)C(N3)=NC=N2

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

4°C, protect from light

*In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (304.53 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	3.0453 mL	15.2267 mL	30.4535 mL
5 mM	0.6091 mL	3.0453 mL	6.0907 mL
10 mM	0.3045 mL	1.5227 mL	3.0453 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, 6 months; -20°C, 1 month (protect from light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

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 (7.61 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 (7.61 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 (7.61 mM); Clear solution; Need ultrasonic

This protocol yields a clear solution of 2.5 mg/mL. 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).

*In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)

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: 99.59%

Select Batch:

Data Sheet (276 KB) SDS (251 KB)

COA (253 KB) LCMS (97 KB)

Handling Instructions (2659 KB)

References

[1]. Martin E Dowty, et al. The Pharmacokinetics, Metabolism, and Clearance Mechanisms of Tofacitinib, a Janus Kinase Inhibitor, in Humans. Drug Metab Dispos. 2014 Apr;42(4):759-73. [Content Brief]

[2]. Matthias Gehringer, et al. Novel Hinge-Binding Motifs for Janus Kinase 3 Inhibitors: A Comprehensive Structure-Activity Relationship Study on Tofacitinib Bioisosteres. ChemMedChem. 2014 Nov;9(11):2516-27. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	3.0453 mL	15.2267 mL	30.4535 mL	76.1336 mL
	5 mM	0.6091 mL	3.0453 mL	6.0907 mL	15.2267 mL
	10 mM	0.3045 mL	1.5227 mL	3.0453 mL	7.6134 mL
	15 mM	0.2030 mL	1.0151 mL	2.0302 mL	5.0756 mL
	20 mM	0.1523 mL	0.7613 mL	1.5227 mL	3.8067 mL
	25 mM	0.1218 mL	0.6091 mL	1.2181 mL	3.0453 mL
	30 mM	0.1015 mL	0.5076 mL	1.0151 mL	2.5378 mL
	40 mM	0.0761 mL	0.3807 mL	0.7613 mL	1.9033 mL
	50 mM	0.0609 mL	0.3045 mL	0.6091 mL	1.5227 mL
	60 mM	0.0508 mL	0.2538 mL	0.5076 mL	1.2689 mL
	80 mM	0.0381 mL	0.1903 mL	0.3807 mL	0.9517 mL
	100 mM	0.0305 mL	0.1523 mL	0.3045 mL	0.7613 mL