Abrocitinib | PF-04965842 | CAS#1622902-68-4 | Janus Kinase 1 inhibitor

MedKoo Cat#: 561484 | Name: Abrocitinib

Description:

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

Abrocitinib, also known as PF-04965842, is an oral Janus Kinase 1 inhibitor being investigated for treatment of plaque psoriasis. In January 2022, FDA approved abrocitinib for adults with moderate-to-severe atopic dermatitis. Abrocitinib at a dose of either 200 mg or 100 mg once daily resulted in significantly greater reductions in signs and symptoms of moderate-to-severe atopic dermatitis than placebo at weeks 12 and 16. The 200-mg dose, but not the 100-mg dose, of abrocitinib was superior to dupilumab with respect to itch response at week 2.

Chemical Structure

Abrocitinib

CAS#1622902-68-4 (cis-isomer)

Theoretical Analysis

MedKoo Cat#: 561484

Name: Abrocitinib

CAS#: 1622902-68-4 (cis-isomer)

Chemical Formula: C14H21N5O2S

Exact Mass: 323.1416

Molecular Weight: 323.41

Elemental Analysis: C, 51.99; H, 6.55; N, 21.65; O, 9.89; S, 9.91

Price and Availability

Size	Price	Availability
5mg	USD 90.00	Ready to ship
10mg	USD 150.00	Ready to ship
25mg	USD 250.00	Ready to ship
50mg	USD 350.00	Ready to ship
100mg	USD 550.00	Ready to ship
200mg	USD 950.00	Ready to ship
500mg	USD 1,650.00	Ready to ship
1g	USD 2,950.00	Ready to ship
2g	USD 5,250.00	Ready to ship

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Related CAS #

2204280-33-9 (trans-isomer) 1622902-68-4 (cis-isomer)

Synonym

PF-04965842; PF 04965842; PF04965842; Abrocitinib;

IUPAC/Chemical Name

N-((1s,3s)-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)cyclobutyl)propane-1-sulfonamide

InChi Key

IUEWXNHSKRWHDY-PHIMTYICSA-N

InChi Code

InChI=1S/C14H21N5O2S/c1-3-6-22(20,21)18-10-7-11(8-10)19(2)14-12-4-5-15-13(12)16-9-17-14/h4-5,9-11,18H,3,6-8H2,1-2H3,(H,15,16,17)/t10-,11+

SMILES Code

CCCS(=O)(N[C@H]1C[C@@H](N(C)C2=C3C(NC=C3)=NC=N2)C1)=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

Product Data

Product Data

Certificate of Analysis

View CoA: current batch, Lot#S20S09C25

QC Data

View QC data: current batch, Lot#S20S09C25

Safety Data Sheet (SDS)

View Safety Data Sheet (SDS)

Instruction

View handling instruction

Biological target:

Abrocitinib (PF-0496542) is a selective JAK1 inhibitor, with IC50s of 29 and 803 nM for JAK1 and JAK2, respectively

In vitro activity:

TBD

In vivo activity:

TBD

	Solvent	mg/mL	mM
Solubility
	DMSO	100.0	309.20

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 323.41 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.

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:

TBD

In vitro protocol:

TBD

In vivo protocol:

TBD

1: Bieber T, Simpson EL, Silverberg JI, Thaçi D, Paul C, Pink AE, Kataoka Y, Chu CY, DiBonaventura M, Rojo R, Antinew J, Ionita I, Sinclair R, Forman S, Zdybski J, Biswas P, Malhotra B, Zhang F, Valdez H; JADE COMPARE Investigators. Abrocitinib versus Placebo or Dupilumab for Atopic Dermatitis. N Engl J Med. 2021 Mar 25;384(12):1101-1112. doi: 10.1056/NEJMoa2019380. PMID: 33761207. 2: Reich K, Thyssen JP, Blauvelt A, Eyerich K, Soong W, Rice ZP, Hong HC, Katoh N, Valenzuela F, DiBonaventura M, Bratt TA, Zhang F, Clibborn C, Rojo R, Valdez H, Kerkmann U. Efficacy and safety of abrocitinib versus dupilumab in adults with moderate-to-severe atopic dermatitis: a randomised, double-blind, multicentre phase 3 trial. Lancet. 2022 Jul 23;400(10348):273-282. doi: 10.1016/S0140-6736(22)01199-0. PMID: 35871814. 3: Deeks ED, Duggan S. Abrocitinib: First Approval. Drugs. 2021 Dec;81(18):2149-2157. doi: 10.1007/s40265-021-01638-3. Erratum in: Drugs. 2022 Apr;82(5):609. PMID: 34807428; PMCID: PMC8917037. 4: Wan H, Jia H, Xia T, Zhang D. Comparative efficacy and safety of abrocitinib, baricitinib, and upadacitinib for moderate-to-severe atopic dermatitis: A network meta-analysis. Dermatol Ther. 2022 Sep;35(9):e15636. doi: 10.1111/dth.15636. Epub 2022 Jul 27. PMID: 35703351; PMCID: PMC9541568. 5: LiverTox: Clinical and Research Information on Drug-Induced Liver Injury [Internet]. Bethesda (MD): National Institute of Diabetes and Digestive and Kidney Diseases; 2012–. Abrocitinib. 2022 Jun 13. PMID: 35782024. 6: Simpson EL, Sinclair R, Forman S, Wollenberg A, Aschoff R, Cork M, Bieber T, Thyssen JP, Yosipovitch G, Flohr C, Magnolo N, Maari C, Feeney C, Biswas P, Tatulych S, Valdez H, Rojo R. Efficacy and safety of abrocitinib in adults and adolescents with moderate-to-severe atopic dermatitis (JADE MONO-1): a multicentre, double-blind, randomised, placebo-controlled, phase 3 trial. Lancet. 2020 Jul 25;396(10246):255-266. doi: 10.1016/S0140-6736(20)30732-7. PMID: 32711801. 7: Shi VY, Bhutani T, Fonacier L, Deleuran M, Shumack S, Valdez H, Zhang F, Chan GL, Cameron MC, Yin NC. Phase 3 efficacy and safety of abrocitinib in adults with moderate-to-severe atopic dermatitis after switching from dupilumab (JADE EXTEND). J Am Acad Dermatol. 2022 Aug;87(2):351-358. doi: 10.1016/j.jaad.2022.04.009. Epub 2022 Apr 16. PMID: 35439608. 8: Nezamololama N, Fieldhouse K, Metzger K, Gooderham M. Emerging systemic JAK inhibitors in the treatment of atopic dermatitis: a review of abrocitinib, baricitinib, and upadacitinib. Drugs Context. 2020 Nov 16;9:2020-8-5. doi: 10.7573/dic.2020-8-5. PMID: 33240390; PMCID: PMC7673622. 9: Blauvelt A, Silverberg JI, Lynde CW, Bieber T, Eisman S, Zdybski J, Gubelin W, Simpson EL, Valenzuela F, Criado PR, Lebwohl MG, Feeney C, Khan T, Biswas P, DiBonaventura M, Valdez H, Cameron MC, Rojo R. Abrocitinib induction, randomized withdrawal, and retreatment in patients with moderate-to-severe atopic dermatitis: Results from the JAK1 Atopic Dermatitis Efficacy and Safety (JADE) REGIMEN phase 3 trial. J Am Acad Dermatol. 2022 Jan;86(1):104-112. doi: 10.1016/j.jaad.2021.05.075. Epub 2021 Aug 17. PMID: 34416294. 10: Simpson EL, Silverberg JI, Nosbaum A, Winthrop KL, Guttman-Yassky E, Hoffmeister KM, Egeberg A, Valdez H, Zhang M, Farooqui SA, Romero W, Thorpe AJ, Rojo R, Johnson S. Integrated Safety Analysis of Abrocitinib for the Treatment of Moderate-to-Severe Atopic Dermatitis From the Phase II and Phase III Clinical Trial Program. Am J Clin Dermatol. 2021 Sep;22(5):693-707. doi: 10.1007/s40257-021-00618-3. Epub 2021 Aug 18. Erratum in: Am J Clin Dermatol. 2021 Nov;22(6):905. PMID: 34406619; PMCID: PMC8370859. 11: Silverberg JI, Simpson EL, Thyssen JP, Gooderham M, Chan G, Feeney C, Biswas P, Valdez H, DiBonaventura M, Nduaka C, Rojo R. Efficacy and Safety of Abrocitinib in Patients With Moderate-to-Severe Atopic Dermatitis: A Randomized Clinical Trial. JAMA Dermatol. 2020 Aug 1;156(8):863-873. doi: 10.1001/jamadermatol.2020.1406. PMID: 32492087; PMCID: PMC7271424. 12: Crowley EL, Nezamololama N, Papp K, Gooderham MJ. Abrocitinib for the treatment of atopic dermatitis. Expert Rev Clin Immunol. 2020 Oct;16(10):955-962. doi: 10.1080/1744666X.2021.1828068. Epub 2020 Oct 8. PMID: 32969750. 13: Abrocitinib. Am J Health Syst Pharm. 2022 May 24;79(11):811-815. doi: 10.1093/ajhp/zxac086. PMID: 35511033. 14: Bieber T, Simpson EL, Silverberg JI, Thaçi D, Paul C, Pink AE, Kataoka Y, Chu CY, DiBonaventura M, Rojo R, Antinew J, Ionita I, Sinclair R, Forman S, Zdybski J, Biswas P, Malhotra B, Zhang F, Valdez H. Comparing abrocitinib and dupilumab in the treatment of atopic dermatitis: a plain language summary. Immunotherapy. 2022 Jan;14(1):5-14. doi: 10.2217/imt-2021-0224. Epub 2021 Nov 15. PMID: 34775830. 15: Zhang L, Guo L, Wang L, Jiang X. The efficacy and safety of tofacitinib, peficitinib, solcitinib, baricitinib, abrocitinib and deucravacitinib in plaque psoriasis - A network meta-analysis. J Eur Acad Dermatol Venereol. 2022 Nov;36(11):1937-1946. doi: 10.1111/jdv.18263. Epub 2022 Jun 9. PMID: 35608188. 16: Perche PO, Cook MK, Feldman SR. Abrocitinib: A New FDA-Approved Drug for Moderate-to-Severe Atopic Dermatitis. Ann Pharmacother. 2023 Jan;57(1):86-98. doi: 10.1177/10600280221096713. Epub 2022 May 19. PMID: 35587593. 17: Eichenfield LF, Flohr C, Sidbury R, Siegfried E, Szalai Z, Galus R, Yao Z, Takahashi H, Barbarot S, Feeney C, Zhang F, DiBonaventura M, Rojo R, Valdez H, Chan G. Efficacy and Safety of Abrocitinib in Combination With Topical Therapy in Adolescents With Moderate-to-Severe Atopic Dermatitis: The JADE TEEN Randomized Clinical Trial. JAMA Dermatol. 2021 Oct 1;157(10):1165-1173. doi: 10.1001/jamadermatol.2021.2830. Erratum in: JAMA Dermatol. 2021 Oct 1;157(10):1246. PMID: 34406366; PMCID: PMC8374743. 18: Thyssen JP, Yosipovitch G, Paul C, Kwatra SG, Chu CY, DiBonaventura M, Feeney C, Zhang F, Myers D, Rojo R, Valdez H. Patient-reported outcomes from the JADE COMPARE randomized phase 3 study of abrocitinib in adults with moderate-to- severe atopic dermatitis. J Eur Acad Dermatol Venereol. 2022 Mar;36(3):434-443. doi: 10.1111/jdv.17813. Epub 2021 Dec 13. PMID: 34779063; PMCID: PMC9300205. 19: Ferreira S, Guttman-Yassky E, Torres T. Selective JAK1 Inhibitors for the Treatment of Atopic Dermatitis: Focus on Upadacitinib and Abrocitinib. Am J Clin Dermatol. 2020 Dec;21(6):783-798. doi: 10.1007/s40257-020-00548-6. PMID: 32776305. 20: Gooderham MJ, Forman SB, Bissonnette R, Beebe JS, Zhang W, Banfield C, Zhu L, Papacharalambous J, Vincent MS, Peeva E. Efficacy and Safety of Oral Janus Kinase 1 Inhibitor Abrocitinib for Patients With Atopic Dermatitis: A Phase 2 Randomized Clinical Trial. JAMA Dermatol. 2019 Dec 1;155(12):1371-1379. doi: 10.1001/jamadermatol.2019.2855. Erratum in: JAMA Dermatol. 2020 Jan 1;156(1):104. PMID: 31577341; PMCID: PMC6777226.