Delgocitinib

• CAS: 1263774-59-9
• Catalog Number: ACM1263774599
• Category: Inhibitors
• Molecular Weight: 310.36
• Molecular Formula: C16H18N6O
• Description: Delgocitinib, also known as LEO-124249 and JTE052, is a potent and selective JAK inhibitor. JTE-052 reduces skin inflammation and ameliorates chronic dermatitis in rodent models: Comparison with conventional therapeutic agents. JTE-052 regulates contact hypersensitivity by downmodulating T cell activation and differentiation.
• Synonyms: Delgocitinib; LEO-124249; LEO124249; LEO 124249; JTE-052; JTE 052; JTE052
• IUPAC Name: 3-[(3S,4R)-3-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,6-diazaspiro[3.4]octan-1-yl]-3-oxopropanenitrile
• Canonical SMILES: N#CCC(N1C[C@H](C)[C@]12CN(C3=C4C(NC=C4)=NC=N3)CC2)=O
• InChI: InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1
• InChI Key: LOWWYYZBZNSPDT-ZBEGNZNMSA-N
• Solubility: Soluble in DMSO
• Appearance: Solid powder
• Shelf Life: >2 years if stored properly
• Storage: Dry, dark and at 0-4 °C for short term (days to weeks) or -20 °C for long term (months to years).
• Alternative CAS: 2064338-33-4 (EtOH); 1263774-59-9 (free); 2064338-35-6 (CHCl3)
• Biological Target: Delgocitinib (JTE-052) is a specific JAK inhibitor with IC50s of 2.8, 2.6, 13 and 58 nM for JAK1, JAK2, JAK3 and Tyk2, respectively.
• Drug Formulation: This drug may be formulated in DMSO
• Elemental Analysis: C, 61.92; H, 5.85; N, 27.08; O, 5.15
• Exact Mass: 310.1542
• HS Tariff Code: 2934.99.9001
• In Vitro Activity: The effects of JTE-052 on B cells, monocytes, and mast cells were examined. Human B cells underwent proliferation upon stimulation with IL-21 together with anti-CD40 antibody, and JTE-052 inhibited this proliferation in a concentration-dependent manner (IC50 = 49 ± 6 nM). In human monocytes, GM-CSF enhanced the TNF-α production upon LPS stimulation, and JTE-052 inhibited this enhancement of TNF-α production in a concentration-dependent manner (Figs. 3c, S1c; IC50 = 277 ± 146 nM). In mast cells, TNF-α production induced by IgE receptor crosslinking was primed by IL-4, and JTE-052 inhibited this priming effect of IL-4 on Fcε receptor-dependent TNF-α production in a concentration-dependent manner (Figs. 3d, S1d; IC50 = 133 ± 18 nM).; Reference: Inflamm Res. 2015 Jan;64(1):41-51. https://pubmed.ncbi.nlm.nih.gov/25387665/
• In Vivo Activity: The effects of JTE-052 on arthritis development were investigated using a rat collagen-induced arthritis model. Collagen-induced arthritis was induced by injection of bovine type II collagen, and JTE-052 was administered before (from day 1) or after (from day 15) the onset of arthritis. In the administration from day 1, JTE-052 prevented the development of hind paw swelling and histological changes of inflammatory cell infiltration and synovial cell hyperplasia. JTE-052 inhibited radiographic and histological changes of bone destruction and cartilage destruction. These findings indicate protective effects of JTE-052 for joint inflammation and joint destruction. In the administration from day 15, JTE-052 decreased the paw swelling in a dose-dependent manner. Improvement of paw swelling was noted on the day following initiation of the dosing.; Reference: Inflamm Res. 2015 Jan;64(1):41-51. https://pubmed.ncbi.nlm.nih.gov/25387665/
• Shipping: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
• Stock Solution Storage: 0-4 °C for short term (days to weeks), or -20 °C for long term (months).