SMILES:

CC1CN(C12CCN(C2)C3=NC=NC4=C3C=CN4)C(=O)CC#N
Delgocitinib (JTE-052) Chemical Structure
Chemical Structure
Check the Delgocitinib (JTE-052) product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

IUPAC Name 3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxopropanenitrile
CAS Number 1263774-59-9
Molecular Formula

C16H18N6O
Molecular Weight (MW) 310.35
SMILES CC1CN(C12CCN(C2)C3=NC=NC4=C3C=CN4)C(=O)CC#N
InChIKey LOWWYYZBZNSPDT-ZBEGNZNMSA-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 (199.77 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Ethanol 6 mg/mL
Water 3 mg/mL
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).

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