SMILES:

CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N
Tofacitinib (CP-690550) Chemical Structure
Chemical Structure
Check the Tofacitinib (CP-690550) product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

IUPAC Name 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
CAS Number 477600-75-2
Molecular Formula

C16H20N6O
Molecular Weight (MW) 312.37
SMILES CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N
InChIKey UJLAWZDWDVHWOW-YPMHNXCESA-N

How to Prepare Stock Solution?

Concentration Volume Mass
🧮 Molarity Calculator

Solubility

Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
Solvent Solubility & Note
DMSO 62 mg/mL (198.48 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Water Insoluble
Ethanol Insoluble
FAQ
Q: Why does a DMSO stock precipitate in media/saline?
A: It is caused by unheated aqueous media (supersaturation), local solvent shock, or incorrect mixing sequence.
How to fix it?
  • Preheat media/saline to 37°C.
  • Mix rapidly (pipette/vortex) upon addition.
  • For complex mixes, always add the aqueous phase last.
  • Re-dissolve minor precipitates with a 37°C water bath and sonication (≤30 min).

Aliquotting Service

Free Aliquotting Service

Pre-aliquoted for Longevity: Solid-state aliquots offer significantly longer shelf life compared to stock solutions, ensuring maximum stability for every use.

Looking for a specific aliquot size? Reach out to your local sales representative or contact us at orders@selleckchem.com.

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Note: Technical data last updated: Sep 1, 2026.