Delgocitinib
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MedKoo CAT#: 561108

CAS#: 1263774-59-9 (free)

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. Delgocitinib has been shown to be effective and well-tolerated in human clinical trials and has recently been approved in Japan for the treatment of atopic dermatitis as the first drug among Janus kinase inhibitors.

Chemical Structure

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Delgocitinib
CAS# 1263774-59-9 (free)
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 561108
Name: Delgocitinib
CAS#: 1263774-59-9 (free)
Chemical Formula: C16H18N6O
Exact Mass: 310.15
Molecular Weight: 310.361
Elemental Analysis: C, 61.92; H, 5.85; N, 27.08; O, 5.15

Price and Availability

Size Price Availability Quantity
10mg USD 150 Ready to ship
25mg USD 250 Ready to ship
50mg USD 450 Ready to ship
100mg USD 750 Ready to ship
200mg USD 1250 Ready to ship
500mg USD 2650 Ready to ship
1g USD 3650 Ready to Ship
2g USD 6250 Ready to Ship
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Related CAS #: 2064338-33-4 (EtOH)   1263774-59-9 (free)   2064338-35-6 (CHCl3)    

Synonym: Delgocitinib; LEO-124249; LEO124249; LEO 124249; JTE-052; JTE 052; JTE052;

IUPAC/Chemical 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

InChi Key: LOWWYYZBZNSPDT-ZBEGNZNMSA-N

InChi Code: 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

SMILES Code: N#CCC(N1C[C@H](C)[C@]12CN(C3=C4C(NC=C4)=NC=N3)CC2)=O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: 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.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

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.
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/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 58.0 186.89

Preparing Stock Solutions

The following data is based on the product molecular weight 310.36 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: 1. Tanimoto A, Ogawa Y, Oki C, Kimoto Y, Nozawa K, Amano W, Noji S, Shiozaki M, Matsuo A, Shinozaki Y, Matsushita M. Pharmacological properties of JTE-052: a novel potent JAK inhibitor that suppresses various inflammatory responses in vitro and in vivo. Inflamm Res. 2015 Jan;64(1):41-51. doi: 10.1007/s00011-014-0782-9. Epub 2014 Nov 12. PMID: 25387665; PMCID: PMC4286029.
In vitro protocol: 1. Tanimoto A, Ogawa Y, Oki C, Kimoto Y, Nozawa K, Amano W, Noji S, Shiozaki M, Matsuo A, Shinozaki Y, Matsushita M. Pharmacological properties of JTE-052: a novel potent JAK inhibitor that suppresses various inflammatory responses in vitro and in vivo. Inflamm Res. 2015 Jan;64(1):41-51. doi: 10.1007/s00011-014-0782-9. Epub 2014 Nov 12. PMID: 25387665; PMCID: PMC4286029.
In vivo protocol: 1. Tanimoto A, Ogawa Y, Oki C, Kimoto Y, Nozawa K, Amano W, Noji S, Shiozaki M, Matsuo A, Shinozaki Y, Matsushita M. Pharmacological properties of JTE-052: a novel potent JAK inhibitor that suppresses various inflammatory responses in vitro and in vivo. Inflamm Res. 2015 Jan;64(1):41-51. doi: 10.1007/s00011-014-0782-9. Epub 2014 Nov 12. PMID: 25387665; PMCID: PMC4286029.

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1: Ho J, Molin S. Delgocitinib in atopic dermatitis. Drugs Today (Barc). 2021 Dec;57(12):719-731. doi: 10.1358/dot.2021.57.12.3352760. PMID: 34909801.


2: Dhillon S. Delgocitinib: First Approval. Drugs. 2020 Apr;80(6):609-615. doi: 10.1007/s40265-020-01291-2. PMID: 32166597.


3: Worm M, Thyssen JP, Schliemann S, Bauer A, Shi VY, Ehst B, Tillmann S, Korn S, Resen K, Agner T. The pan-JAK inhibitor delgocitinib in a cream formulation demonstrates dose response in chronic hand eczema in a 16-week randomized phase IIb trial. Br J Dermatol. 2022 Jul;187(1):42-51. doi: 10.1111/bjd.21037. Epub 2022 Apr 19. PMID: 35084738; PMCID: PMC9350381.


4: Nakagawa H, Nemoto O, Igarashi A, Saeki H, Kabashima K, Oda M, Nagata T. Delgocitinib ointment in pediatric patients with atopic dermatitis: A phase 3, randomized, double-blind, vehicle-controlled study and a subsequent open-label, long-term study. J Am Acad Dermatol. 2021 Oct;85(4):854-862. doi: 10.1016/j.jaad.2021.06.014. Epub 2021 Jun 10. PMID: 34118298.


5: Nakagawa H, Nemoto O, Igarashi A, Saeki H, Kaino H, Nagata T. Delgocitinib ointment, a topical Janus kinase inhibitor, in adult patients with moderate to severe atopic dermatitis: A phase 3, randomized, double-blind, vehicle- controlled study and an open-label, long-term extension study. J Am Acad Dermatol. 2020 Apr;82(4):823-831. doi: 10.1016/j.jaad.2019.12.015. Epub 2020 Feb 3. Erratum in: J Am Acad Dermatol. 2021 Oct;85(4):1069. PMID: 32029304.


6: Chovatiya R, Paller AS. JAK inhibitors in the treatment of atopic dermatitis. J Allergy Clin Immunol. 2021 Oct;148(4):927-940. doi: 10.1016/j.jaci.2021.08.009. Epub 2021 Aug 24. PMID: 34437922; PMCID: PMC10166130.


7: Kleinman E, Laborada J, Metterle L, Eichenfield LF. What's New in Topicals for Atopic Dermatitis? Am J Clin Dermatol. 2022 Sep;23(5):595-603. doi: 10.1007/s40257-022-00712-0. Epub 2022 Sep 1. PMID: 36048410; PMCID: PMC9464760.


8: Shawky AM, Almalki FA, Abdalla AN, Abdelazeem AH, Gouda AM. A Comprehensive Overview of Globally Approved JAK Inhibitors. Pharmaceutics. 2022 May 6;14(5):1001. doi: 10.3390/pharmaceutics14051001. PMID: 35631587; PMCID: PMC9146299.


9: Nakashima C, Yanagihara S, Otsuka A. Innovation in the treatment of atopic dermatitis: Emerging topical and oral Janus kinase inhibitors. Allergol Int. 2022 Jan;71(1):40-46. doi: 10.1016/j.alit.2021.10.004. Epub 2021 Nov 21. PMID: 34815171.


10: Sahni VN, Balogh EA, Strowd LC, Feldman SR. The evolving atopic dermatitis management landscape. Expert Opin Pharmacother. 2022 Mar;23(4):517-526. doi: 10.1080/14656566.2021.1999412. Epub 2021 Nov 10. Erratum in: Expert Opin Pharmacother. 2022 Jan 5;:1. PMID: 34758685.


11: Saeki H, Ohya Y, Furuta J, Arakawa H, Ichiyama S, Katsunuma T, Katoh N, Tanaka A, Tsunemi Y, Nakahara T, Nagao M, Narita M, Hide M, Fujisawa T, Futamura M, Masuda K, Matsubara T, Murota H, Yamamoto-Hanada K; Committee for Clinical Practice Guidelines for the Management of Atopic Dermatitis 2021, The Japanese Society of Allergology, The Japanese Dermatology Association. Executive summary: Japanese guidelines for atopic dermatitis (ADGL) 2021. Allergol Int. 2022 Oct;71(4):448-458. doi: 10.1016/j.alit.2022.06.009. Epub 2022 Sep 2. PMID: 36064654.


12: Traidl S, Freimooser S, Werfel T. Janus kinase inhibitors for the therapy of atopic dermatitis. Allergol Select. 2021 Aug 27;5:293-304. doi: 10.5414/ALX02272E. PMID: 34532638; PMCID: PMC8439108.


13: Saeki H, Ohya Y, Furuta J, Arakawa H, Ichiyama S, Katsunuma T, Katoh N, Tanaka A, Tsunemi Y, Nakahara T, Nagao M, Narita M, Hide M, Fujisawa T, Futamura M, Masuda K, Matsubara T, Murota H, Yamamoto-Hanada K. English Version of Clinical Practice Guidelines for the Management of Atopic Dermatitis 2021. J Dermatol. 2022 Oct;49(10):e315-e375. doi: 10.1111/1346-8138.16527. Epub 2022 Aug 22. PMID: 35996152.


14: Anagawa-Nakamura A, Ryoke K, Yasui Y, Shoda T, Sugai S. Effects of Delgocitinib Ointment 0.5% on the Normal Mouse Skin and Epidermal Tight Junction Proteins in Comparison With Topical Corticosteroids. Toxicol Pathol. 2020 Dec;48(8):1008-1016. doi: 10.1177/0192623320970896. Epub 2020 Dec 2. PMID: 33334258.


15: Zhou S, Qi F, Gong Y, Zhang J, Zhu B. Biological Therapies for Atopic Dermatitis: A Systematic Review. Dermatology. 2021;237(4):542-552. doi: 10.1159/000514535. Epub 2021 Mar 18. PMID: 33735876.


16: Worm M, Bauer A, Elsner P, Mahler V, Molin S, Nielsen TSS. Efficacy and safety of topical delgocitinib in patients with chronic hand eczema: data from a randomized, double-blind, vehicle-controlled phase IIa study. Br J Dermatol. 2020 May;182(5):1103-1110. doi: 10.1111/bjd.18469. Epub 2019 Nov 8. PMID: 31466119.


17: Lee GR, Maarouf M, Hendricks AK, Lee DE, Shi VY. Current and emerging therapies for hand eczema. Dermatol Ther. 2019 May;32(3):e12840. doi: 10.1111/dth.12840. Epub 2019 Feb 18. PMID: 30693618.


18: Nakagawa H, Nemoto O, Igarashi A, Saeki H, Oda M, Kabashima K, Nagata T. Phase 2 clinical study of delgocitinib ointment in pediatric patients with atopic dermatitis. J Allergy Clin Immunol. 2019 Dec;144(6):1575-1583. doi: 10.1016/j.jaci.2019.08.004. Epub 2019 Aug 16. Erratum in: J Allergy Clin Immunol. 2021 Oct;148(4):1088. PMID: 31425780.


19: Kantor J. This Month in JAAD International: December 2022: Topical management of vitiligo with Janus kinase inhibitors. J Am Acad Dermatol. 2022 Dec;87(6):1284. doi: 10.1016/j.jaad.2022.10.002. Epub 2022 Oct 11. PMID: 36228949.


20: Fujimoto RFT, Miura H, Takata M, Fujiwara S. Indeterminate cell histiocytosis treated with 0.5% delgocitinib ointment. Br J Dermatol. 2023 May 24;188(6):e39. doi: 10.1093/bjd/ljad029. PMID: 36753385.