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MedKoo Cat#: 413373 | Name: Deuruxolitinib phosphate

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Deucravacitinib is an oral, selective inhibitor of tyrosine kinase 2 (TYK2) that works by binding to the regulatory domain of TYK2. This binding stabilizes an inhibitory interaction between the regulatory and catalytic domains of the enzyme, allosterically inhibiting TYK2's receptor-mediated activation. Deucravacitinib can inhibit TYK2 in three states: autoinhibited and two activated states. In the autoinhibited state, deucravacitinib binds to the TYK2 pseudokinase domain, which restricts the kinase domain's dynamics and prevents the formation of the active state. Deucravacitinib also binds competitively with ATP in the pseudokinase domain. Deuruxolitinib was approved for treatment of Alopecia Areata.Deuruxolitinib is a deuterium derivative of ruxolitinib (a JAK inhibitor).

Chemical Structure

Deuruxolitinib phosphate
Deuruxolitinib phosphate
CAS#2147706-60-1 (phosphate)

Theoretical Analysis

MedKoo Cat#: 413373

Name: Deuruxolitinib phosphate

CAS#: 2147706-60-1 (phosphate)

Chemical Formula: C17H13D8N6O4P

Exact Mass: 0.0000

Molecular Weight: 412.42

Elemental Analysis: C, 49.51; H, 7.08; N, 20.38; O, 15.52; P, 7.51

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
1513883-39-0 (free base) 2147706-60-1 (phosphate)
Synonym
Deuruxolitinib phosphate; CTP543 phosphate; CTP 543 phosphate; CTP-543 phosphate
IUPAC/Chemical Name
1H-Pyrazole-1-propanenitrile, beta-(cyclopentyl-2,2,3,3,4,4,5,5-d8)-4-(7Hpyrrolo(2,3-d)pyrimidin-4-yl)-, (betaR)-, phosphate (1:1)
InChi Key
JFMWPOCYMYGEDM-NTVOUFPTSA-N
InChi Code
InChI=1S/C17H18N6.H3O4P/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16;1-5(2,3)4/h6,8-12,15H,1-5H2,(H,19,20,21);(H3,1,2,3,4)/t15-;/m1./s1/i1D2,2D2,3D2,4D2;
SMILES Code
N#CC[C@H](C1C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H])N2N=CC(C3=C4C(NC=C4)=NC=N3)=C2.O=P(O)(O)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
TYK2 is a member of the Janus kinase (JAK) family and mediates multiple cytokine pathways, such as IL-23, which impacts the production of IL-17, a key inflammatory cytokine in psoriasis. By inhibiting TYK2, deucravacitinib interferes with signaling of IL-23, IL-12, and type I interferons, cytokines that are believed to play important roles in psoriasis pathogenesis
Solvent mg/mL mM
Solubility
Soluble in DMSO 0.0 100.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 412.42 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
1: King B, Senna MM, Mesinkovska NA, Lynde C, Zirwas M, Maari C, Prajapati VH, Sapra S, Brzewski P, Osman L, Hanna S, Wiseman MC, Hamilton C, Cassella J. Efficacy and safety of deuruxolitinib, an oral selective Janus kinase inhibitor, in adults with alopecia areata: Results from the Phase 3 randomized, controlled trial (THRIVE-AA1). J Am Acad Dermatol. 2024 Jul 23:S0190-9622(24)02550-7. doi: 10.1016/j.jaad.2024.06.097. Epub ahead of print. PMID: 39053611. 2: Chim I, Ghiya R, Sinclair RD, Eisman S. Novel investigational drugs for alopecia areata and future perspectives. Expert Opin Investig Drugs. 2024 May;33(5):441-449. doi: 10.1080/13543784.2024.2348062. Epub 2024 May 20. PMID: 38682280. 3: Yan T, Wang T, Tang M, Liu N. Comparative efficacy and safety of JAK inhibitors in the treatment of moderate-to-severe alopecia areata: a systematic review and network meta-analysis. Front Pharmacol. 2024 Apr 10;15:1372810. doi: 10.3389/fphar.2024.1372810. PMID: 38659584; PMCID: PMC11039836. 4: Dainichi T, Iwata M, Kaku Y. Alopecia areata: What's new in the diagnosis and treatment with JAK inhibitors? J Dermatol. 2024 Feb;51(2):196-209. doi: 10.1111/1346-8138.17064. Epub 2023 Dec 12. PMID: 38087654. 5: Martinez J, Manjaly C, Manjaly P, Ly S, Zhou G, Barbieri J, Mostaghimi A. Janus Kinase Inhibitors and Adverse Events of Acne: A Systematic Review and Meta-Analysis. JAMA Dermatol. 2023 Dec 1;159(12):1339-1345. doi: 10.1001/jamadermatol.2023.3830. PMID: 37851459; PMCID: PMC10585588. 6: King BA, Craiglow BG. Janus kinase inhibitors for alopecia areata. J Am Acad Dermatol. 2023 Aug;89(2S):S29-S32. doi: 10.1016/j.jaad.2023.05.049. PMID: 37591562. 7: Gupta AK, Wang T, Bamimore MA, Piguet V, Tosti A. The relative efficacy of monotherapy with Janus kinase inhibitors, dupilumab and apremilast in adults with alopecia areata: Network meta-analyses of clinical trials. J Cosmet Dermatol. 2023 Sep;22(9):2553-2559. doi: 10.1111/jocd.15903. Epub 2023 Jul 14. PMID: 37452455. 8: King B, Pezalla E, Fung S, Tran H, Bourret JA, Peeples-Lamirande K, Takiya L, Napatalung L. Overview of alopecia areata for managed care and payer stakeholders in the United States. J Manag Care Spec Pharm. 2023 Jul;29(7):848-856. doi: 10.18553/jmcp.2023.22371. Epub 2023 May 23. PMID: 37219075; PMCID: PMC10394197. 9: Papierzewska M, Waśkiel-Burnat A, Rudnicka L. Safety of Janus Kinase inhibitors in Patients with Alopecia Areata: A Systematic Review. Clin Drug Investig. 2023 May;43(5):325-334. doi: 10.1007/s40261-023-01260-z. Epub 2023 May 3. PMID: 37138134; PMCID: PMC10155665. 10: Sechi A, Song J, Dell'Antonia M, Heidemeyer K, Piraccini BM, Starace M, Naldi L. Adverse events in patients treated with Jak-inhibitors for alopecia areata: A systematic review. J Eur Acad Dermatol Venereol. 2023 Apr 4. doi: 10.1111/jdv.19090. Epub ahead of print. PMID: 37013725. 11: Barati Sedeh F, Michaelsdóttir TE, Henning MAS, Jemec GBE, Ibler KS. Comparative Efficacy and Safety of Janus Kinase Inhibitors Used in Alopecia Areata: A Systematic Review and Meta-analysis. Acta Derm Venereol. 2023 Jan 25;103:adv00855. doi: 10.2340/actadv.v103.4536. PMID: 36695751; PMCID: PMC10391778. 12: Gupta AK, Wang T, Polla Ravi S, Bamimore MA, Piguet V, Tosti A. Systematic review of newer agents for the management of alopecia areata in adults: Janus kinase inhibitors, biologics and phosphodiesterase-4 inhibitors. J Eur Acad Dermatol Venereol. 2023 Apr;37(4):666-679. doi: 10.1111/jdv.18810. Epub 2022 Dec 22. PMID: 36478475.

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