Tofacitinib (CP690550; tasocitinib)

Alias: CP-690550; CP690550; CP 690550; Tasocitinib; Tofacitinib; Xeljanz (Trade name); Tofacitinib free base;
Cat No.:V0342 Purity: ≥98%
Tofacitinib (also known as tasocitinib or CP-690550, sold under the brandXeljanz),is a novel and potent inhibitor of JAK3 (Janus-Associated kinase) with potential anti-inflammatory activity.
Tofacitinib (CP690550; tasocitinib) Chemical Structure CAS No.: 477600-75-2
Product category: JAK
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
5mg
25mg
50mg
100mg
250mg
500mg
1g
Other Sizes

Other Forms of Tofacitinib (CP690550; tasocitinib):

  • Tofacitinib (CP690550) Citrate
  • (3S,4S)-Tofacitinib
  • (3R,4S)-Tofacitinib
  • (3S,4R)-Tofacitinib
Official Supplier of:
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Purity & Quality Control Documentation

Purity: ≥98%

Purity: ≥98%

Product Description

Tofacitinib (also known as tasocitinib or CP-690550, sold under the brand Xeljanz), is a novel and potent inhibitor of JAK3 (Janus-Associated kinase) with potential anti-inflammatory activity. It inhibits JAK1, JAK2, and JAK3 with IC50s of 1.0 nM, 21.7 nM, and 6.5 nM, respectively, in cell-free assays. It is an FDA approved drug for the treatment of rheumatoid arthritis (RA), psoriatic arthritis, and ulcerative colitis. The inhibition is JAK3-specific with a selectivity of 1000-fold higher than other non-JAK family kinases.

Biological Activity I Assay Protocols (From Reference)
ln Vitro
JAK3 and JAK2 may bind to tofacitinib (CP-690550) Citrate at 2.2 nM and 5 nM (Kd) concentrations. In Camk1 (Kd 5,000 nM), DCamkL3 (Kd 4.5 nM), Mst2 (Kd 4,300 nM), Pkn1 (Kd 200 nM), and Rps6ka2 (Kin.Dom.2-C-), tofacitinib is included in the report. Kd 1,400 nM for the terminal), Kd 1,200 nM for Rps6ka6 (Kin.Dom.2-C terminal), Kd 420 nM for Snark, Kd 640 nM for Tnk1, and Kd 620 nM for Tyk2][1].
ln Vivo
For five weeks following their initial immunization (p<0.01, n=8), animals treated with tofacitinib exhibit a considerably decreased development of anti-drug antibodies (ADAs) when compared to PEG-treated control mice. Additionally, day 28 is when ADAs become noticeable. Titers to SS1P show a 1000- to 200-fold variation from days 21 to 35, respectively. Keyhole limpet hemocyanin (KLH)-injected animals produce an antibody response more quickly than those treated with SS1P. Nevertheless, tofacitinib dosing lowers anti-KLH titers in comparison to controls (p<0.05 on day 21 and p<0.01 on day 28, respectively, n = 5). From days 21 through 28, titer reductions varied from 5000 to 250 fold[2]. The JAK1 and JAK3 signaling pathways can be suppressed for more than 4 hours with a daily dose of tofacitinib of 6.2 mg/kg, which is chosen based on prior dose-response experiments and provides 80% inhibition of hind paw volume and plasma exposure[3].
Animal Protocol
Formulated in PEG 300; 0-136 ng/mL; Given through osmotic minipump infusion
DBA/2 and C57/BL6 mice
References
[1]. Jiang JK, et al. Examining the chirality, conformation and selective kinase inhibition of 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile (CP-690,550). J Med Chem. 2008 Dec 25;51(24):8012-8.
[2]. Onda M, et al. Tofacitinib suppresses antibody responses to protein therapeutics in murine hosts. J Immunol. 2014 Jul 1;193(1):48-55.
[3]. LaBranche TP, et al. JAK inhibition with tofacitinib suppresses arthritic joint structural damage through decreased RANKL production. Arthritis Rheum. 2012 Nov;64(11):3531-42.
[4]. Calama E, et al. Tofacitinib ameliorates inflammation in a rat model of airway neutrophilia induced by inhaled LPS. Pulm Pharmacol Ther. 2017 Apr;43:60-67
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C16H20N6O
Molecular Weight
312.37
CAS #
477600-75-2
Related CAS #
Tofacitinib citrate;540737-29-9;(3S,4S)-Tofacitinib;1092578-47-6;(3R,4S)-Tofacitinib;1092578-46-5;(3S,4R)-Tofacitinib;1092578-48-7;Tofacitinib-13C3
Appearance
Typically exists as solids (or liquids in special cases) at room temperature
SMILES
N#CCC(N1C[C@H](N(C)C2=C3C(NC=C3)=NC=N2)[C@H](C)CC1)=O
Chemical Name
3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile
Synonyms
CP-690550; CP690550; CP 690550; Tasocitinib; Tofacitinib; Xeljanz (Trade name); Tofacitinib free base;
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

Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO: 62 mg/mL (198.5 mM)
Water:<1 mg/mL
Ethanol:<1 mg/mL
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.00 mM) (saturation unknown) in 5% DMSO + 40% PEG300 + 5% Tween80 + 50% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.

Solubility in Formulation 2: ≥ 2.5 mg/mL (8.00 mM) (saturation unknown) in 5% DMSO + 95% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.

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Solubility in Formulation 3: ≥ 2.08 mg/mL (6.66 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.


Solubility in Formulation 4: ≥ 2.08 mg/mL (6.66 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.

Solubility in Formulation 5: ≥ 2.08 mg/mL (6.66 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.

Solubility in Formulation 6: 30% PEG400+0.5% Tween80+5% propylene glycol:30mg/mL

Solubility in Formulation 7: 5 mg/mL (16.01 mM) in 0.5% MC 0.5% Tween-80 (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 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

*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.

Calculator

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
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  • Enter 5 in the Volume box and choose the correct unit (mL)
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
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Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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.

Clinical Trial Information
NCT Number Recruitment interventions Conditions Sponsor/Collaborators Start Date Phases
NCT06202560 Enrolling by invitation Drug: Tofacitinib 5 MG Frontal Fibrosing Alopecia
Lichen Planopilaris
Institute of Dermatology, Thailand November 29, 2023 Not Applicable
NCT06044844 Recruiting Drug: Tofacitinib Efficacy of Tofacitinib in
the Systemic Sclerosis
Bangabandhu Sheikh Mujib Medical
University, Dhaka, Bangladesh
November 2023 Phase 2
NCT04424303 Recruiting Drug: Tofacitinib Ulcerative Colitis Pfizer December 4, 2020
NCT06278402 Completed Drug: Tofacitinib Alopecia Areata
Alopecia Totalis
Jinnah Hospital July 1, 2023 Phase 3
Biological Data
  • Tofacitinib (CP-690550,Tasocitinib)
  • Tofacitinib (CP-690550,Tasocitinib)

  • Tofacitinib (CP-690550,Tasocitinib)
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