Oclacitinib
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MedKoo CAT#: 510286

CAS#: 1208319-26-9 (free base)

Description: Oclacitinib, also known as PF03394197, is a novel Janus kinase inhibitor with activity against cytokines involved in allergy. Oclacitinib inhibited JAK family members by 50% at concentrations (IC50 's) ranging from 10 to 99 nM and did not inhibit a panel of 38 non-JAK kinases (IC50 's > 1000 nm). Oclacitinib was most potent at inhibiting JAK1 (IC50 = 10 nm). Oclacitinib also inhibited the function of JAK1-dependent cytokines involved in allergy and inflammation (IL-2, IL-4, IL-6, and IL-13) as well as pruritus (IL-31) at IC50 's ranging from 36 to 249 nM.


Chemical Structure

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Oclacitinib
CAS# 1208319-26-9 (free base)

Theoretical Analysis

MedKoo Cat#: 510286
Name: Oclacitinib
CAS#: 1208319-26-9 (free base)
Chemical Formula: C15H23N5O2S
Exact Mass: 337.15725
Molecular Weight: 337.44
Elemental Analysis: C, 53.39; H, 6.87; N, 20.75; O, 9.48; S, 9.50

Price and Availability

Size Price Availability Quantity
25.0mg USD 90.0 Ready to ship
50.0mg USD 150.0 Ready to ship
100.0mg USD 250.0 Ready to ship
200.0mg USD 450.0 Ready to ship
500.0mg USD 950.0 Ready to ship
1.0g USD 1450.0 Ready to ship
2.0g USD 2450.0 Ready to ship
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Related CAS #: 1208319-27-0 (maleate)   1640292-55-2   1208319-26-9 (free base)    

Synonym: PF03394197; PF-03394197; PF 03394197; Oclacitinib; Apoquel.

IUPAC/Chemical Name: N-methyl-1-((1r,4r)-4-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)cyclohexyl)methanesulfonamide

InChi Key: HJWLJNBZVZDLAQ-HAQNSBGRSA-N

InChi Code: InChI=1S/C15H23N5O2S/c1-16-23(21,22)9-11-3-5-12(6-4-11)20(2)15-13-7-8-17-14(13)18-10-19-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,17,18,19)/t11-,12-

SMILES Code: O=S(C[C@H]1CC[C@H](N(C)C2=C3C(NC=C3)=NC=N2)CC1)(NC)=O

Appearance: white to off-white 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, not in water

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

Biological target: Oclacitinib, also known as PF03394197, is a JAK family inhibitor by 50% at concentrations (IC50 's) ranging from 10 to 99 nM and has activity against cytokines involved in allergy.
In vitro activity: The objective of this study was to determine whether the novel JAK inhibitor oclacitinib could reduce the activity of cytokines implicated in canine allergic skin disease. Using isolated enzyme systems and in vitro human or canine cell models, potency and selectivity of oclacitinib was determined against JAK family members and cytokines that trigger JAK activation in cells. Oclacitinib inhibited JAK family members by 50% at concentrations (IC50's) ranging from 10 to 99 nm and did not inhibit a panel of 38 non-JAK kinases (IC50's > 1000 nm). Oclacitinib was most potent at inhibiting JAK1 (IC50 = 10 nm). Oclacitinib also inhibited the function of JAK1-dependent cytokines involved in allergy and inflammation (IL-2, IL-4, IL-6, and IL-13) as well as pruritus (IL-31) at IC50's ranging from 36 to 249 nm. Oclacitinib had minimal effects on cytokines that did not activate the JAK1 enzyme in cells (erythropoietin, granulocyte/macrophage colony-stimulating factor, IL-12, IL-23; IC50's > 1000 nm). These results demonstrate that oclacitinib is a targeted therapy that selectively inhibits JAK1-dependent cytokines involved in allergy, inflammation, and pruritus and suggests these are the mechanisms by which oclacitinib effectively controls clinical signs associated with allergic skin disease in dogs. J Vet Pharmacol Ther. 2014 Aug; 37(4): 317–324. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4265276/
In vivo activity: The aim of this study was to evaluate the safety and clinical effects of oral oclacitinib maleate in healthy cats. Thirty mixed-breed cats weighing from 2.1 to 5.3 kg each were randomly allocated to three treatment groups of 10 animals each. Cats in two groups received oclacitinib at 1 mg/kg or 2 mg/kg q 12 h orally for 28 days. Cats in the third group were given placebo tablets (cornstarch) q 12 h orally for 28 days. There were no significant differences in white blood cell counts between groups at any sampling time. Neutrophil mean values also were within the reference range, but there was a transient significant increase on day 21 (p = 0.007) for both treated groups compared with the placebo group. Also on day 21, mean monocyte counts were significantly higher in 1 mg/kg group than in the placebo group (p = 0.03) and significantly lower in 2 mg/kg (p = 0.03); however, values were within the normal reference range. The mean lymphocyte count was within the normal reference range at all samplings for cats in all groups, with no significant differences between placebo and treated cats. A decrease in the mean eosinophil count was observed in both oclacitinib groups, and this decrease was significant between the placebo and treated groups on day 14 (p = 0.04), but the mean value remained within the normal reference range for all days.Oclacitinib was well tolerated by cats at 1 mg/kg and 2 mg/kg and appeared to be a safe medication for this species to be treated twice daily for up to 28 days. BMC Vet Res. 2019; 15: 137. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6506962/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 12.0 35.6

Preparing Stock Solutions

The following data is based on the product molecular weight 337.44 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. Gonzales AJ, Bowman JW, Fici GJ, Zhang M, Mann DW, Mitton-Fry M. Oclacitinib (APOQUEL(®)) is a novel Janus kinase inhibitor with activity against cytokines involved in allergy. J Vet Pharmacol Ther. 2014 Aug;37(4):317-24. doi: 10.1111/jvp.12101. Epub 2014 Feb 5. PMID: 24495176; PMCID: PMC4265276. 2. Fukuyama T, Ehling S, Cook E, Bäumer W. Topically Administered Janus-Kinase Inhibitors Tofacitinib and Oclacitinib Display Impressive Antipruritic and Anti-Inflammatory Responses in a Model of Allergic Dermatitis. J Pharmacol Exp Ther. 2015 Sep;354(3):394-405. doi: 10.1124/jpet.115.223784. Epub 2015 Jul 9. PMID: 26159873. 3. Lopes NL, Campos DR, Machado MA, Alves MSR, de Souza MSG, da Veiga CCP, Merlo A, Scott FB, Fernandes JI. A blinded, randomized, placebo-controlled trial of the safety of oclacitinib in cats. BMC Vet Res. 2019 May 8;15(1):137. doi: 10.1186/s12917019-1893-x. PMID: 31068210; PMCID: PMC6506962. 4. Cosgrove SB, Wren JA, Cleaver DM, Martin DD, Walsh KF, Harfst JA, Follis SL, King VL, Boucher JF, Stegemann MR. Efficacy and safety of oclacitinib for the control of pruritus and associated skin lesions in dogs with canine allergic dermatitis. Vet Dermatol. 2013 Oct;24(5):479-e114. doi: 10.1111/vde.12047. Epub 2013 Jul 5. PMID: 23829933; PMCID: PMC4282347.
In vitro protocol: 1. Gonzales AJ, Bowman JW, Fici GJ, Zhang M, Mann DW, Mitton-Fry M. Oclacitinib (APOQUEL(®)) is a novel Janus kinase inhibitor with activity against cytokines involved in allergy. J Vet Pharmacol Ther. 2014 Aug;37(4):317-24. doi: 10.1111/jvp.12101. Epub 2014 Feb 5. PMID: 24495176; PMCID: PMC4265276. 2. Fukuyama T, Ehling S, Cook E, Bäumer W. Topically Administered Janus-Kinase Inhibitors Tofacitinib and Oclacitinib Display Impressive Antipruritic and Anti-Inflammatory Responses in a Model of Allergic Dermatitis. J Pharmacol Exp Ther. 2015 Sep;354(3):394-405. doi: 10.1124/jpet.115.223784. Epub 2015 Jul 9. PMID: 26159873.
In vivo protocol: 1. Lopes NL, Campos DR, Machado MA, Alves MSR, de Souza MSG, da Veiga CCP, Merlo A, Scott FB, Fernandes JI. A blinded, randomized, placebo-controlled trial of the safety of oclacitinib in cats. BMC Vet Res. 2019 May 8;15(1):137. doi: 10.1186/s12917019-1893-x. PMID: 31068210; PMCID: PMC6506962. 2. Cosgrove SB, Wren JA, Cleaver DM, Martin DD, Walsh KF, Harfst JA, Follis SL, King VL, Boucher JF, Stegemann MR. Efficacy and safety of oclacitinib for the control of pruritus and associated skin lesions in dogs with canine allergic dermatitis. Vet Dermatol. 2013 Oct;24(5):479-e114. doi: 10.1111/vde.12047. Epub 2013 Jul 5. PMID: 23829933; PMCID: PMC4282347.

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1: Little PR, King VL, Davis KR, Cosgrove SB, Stegemann MR. A blinded, randomized clinical trial comparing the efficacy and safety of oclacitinib and ciclosporin for the control of atopic dermatitis in client-owned dogs. Vet Dermatol. 2014 Dec 12. doi: 10.1111/vde.12186. [Epub ahead of print] PubMed PMID: 25496303.

2: Gadeyne C, Little P, King VL, Edwards N, Davis K, Stegemann MR. Efficacy of oclacitinib (Apoquel(®) ) compared with prednisolone for the control of pruritus and clinical signs associated with allergic dermatitis in client-owned dogs in Australia. Vet Dermatol. 2014 Dec;25(6):512-e86. doi: 10.1111/vde.12166. Epub 2014 Aug 11. PubMed PMID: 25109820.

3: Cosgrove SB, Wren JA, Cleaver DM, Walsh KF, Follis SI, King VI, Tena JK, Stegemann MR. A blinded, randomized, placebo-controlled trial of the efficacy and safety of the Janus kinase inhibitor oclacitinib (Apoquel®) in client-owned dogs with atopic dermatitis. Vet Dermatol. 2013 Dec;24(6):587-97, e141-2. doi: 10.1111/vde.12088. PubMed PMID: 24581322.

4: Gonzales AJ, Bowman JW, Fici GJ, Zhang M, Mann DW, Mitton-Fry M. Oclacitinib (APOQUEL(®)) is a novel Janus kinase inhibitor with activity against cytokines involved in allergy. J Vet Pharmacol Ther. 2014 Aug;37(4):317-24. doi: 10.1111/jvp.12101. Epub 2014 Feb 5. PubMed PMID: 24495176.

5: Collard WT, Hummel BD, Fielder AF, King VL, Boucher JF, Mullins MA, Malpas PB, Stegemann MR. The pharmacokinetics of oclacitinib maleate, a Janus kinase inhibitor, in the dog. J Vet Pharmacol Ther. 2014 Jun;37(3):279-85. doi: 10.1111/jvp.12087. Epub 2013 Dec 16. PubMed PMID: 24330031.

6: Cosgrove SB, Wren JA, Cleaver DM, Martin DD, Walsh KF, Harfst JA, Follis SL, King VL, Boucher JF, Stegemann MR. Efficacy and safety of oclacitinib for the control of pruritus and associated skin lesions in dogs with canine allergic dermatitis. Vet Dermatol. 2013 Oct;24(5):479-e114. doi: 10.1111/vde.12047. Epub 2013 Jul 5. PubMed PMID: 23829933.