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MedKoo Cat#: 563415 | Name: Tofacitinib HCl

Description:

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

Tofacitinib, also known as tasocitinib, CP-690550, is a Janus kinase (JAK) inhibitor. Tofacitinib modulates the signaling pathway at the point of JAKs, preventing the phosphorylation and activation of STATs. JAK enzymes transmit cytokine signaling through pairing of JAKs (e.g., JAK1/JAK3, JAK1/JAK2, JAK1/TyK2, JAK2/JAK2). Tofacitinib inhibited the in vitro activities of JAK1/JAK2, JAK1/JAK3, and JAK2/JAK2 combinations with IC50 of 406, 56, and 1377 nM, respectively.

Chemical Structure

Tofacitinib HCl
Tofacitinib HCl
CAS#1803005-18-6 (HCl)

Theoretical Analysis

MedKoo Cat#: 563415

Name: Tofacitinib HCl

CAS#: 1803005-18-6 (HCl)

Chemical Formula: C16H21ClN6O

Exact Mass:

Molecular Weight: 348.84

Elemental Analysis: C, 55.09; H, 6.07; Cl, 10.16; N, 24.09; O, 4.59

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 #
540737-29-9 (citrate) 477600-75-2 (free base) 1443435-54-8 (oxalate) 1443435-50-4 (tartrate) 1803005-18-6 (HCl) 1803005-19-7 (HBr) 2052885-67-1 (maleate)
Synonym
Tofacitinib HCl; Tofacitinib hydrochloride; CP690550; CP-690550; CP 690550; CP-690550 HCl; Tofacitinib; tasocitinib. Trade name Xeljanz.
IUPAC/Chemical Name
3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile hydrochloride
InChi Key
GAAYSQZMMCUMRF-YLAFAASESA-N
InChi Code
InChI=1S/C16H20N6O.ClH/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16;/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20);1H/t11-,13+;/m1./s1
SMILES Code
N#CCC(N1C[C@H](N(C)C2=C3C(NC=C3)=NC=N2)[C@H](C)CC1)=O.[H]Cl
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
>3 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
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 348.84 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: Barrera MJ, Aguilera S, Castro I, Matus S, Carvajal P, Molina C, González S, Jara D, Hermoso M, González MJ. Tofacitinib counteracts IL-6 overexpression induced by deficient autophagy: implications in Sjögren's syndrome. Rheumatology (Oxford). 2020 Nov 12:keaa670. doi: 10.1093/rheumatology/keaa670. Epub ahead of print. PMID: 33216905. 2: Song GG, Lee YH. Relative efficacy and safety of tofacitinib for treating psoriasis: A Bayesian network meta-analysis of randomized controlled trials. Int J Clin Pharmacol Ther. 2020 Nov 19. doi: 10.5414/CP203831. Epub ahead of print. PMID: 33210996. 3: Sedano R, Jairath V. Tofacitinib Induced Long-term Clinical, Endoscopic, and Histological Remission as a 6th Line Agent in Medically Refractory Ulcerative Colitis. Inflamm Bowel Dis. 2020 Nov 17:izaa296. doi: 10.1093/ibd/izaa296. Epub ahead of print. PMID: 33200783. 4: Li X, Wu X, Elston DM, Zhang J, Zhou C. Hypohidrotic Ectodermal Dysplasia with c.28delG Mutation in Ectodysplasin A Gene and Severe Atopic Dermatitis Treated Successfully with Tofacitinib. Acta Derm Venereol. 2020 Nov 16. doi: 10.2340/00015555-3693. Epub ahead of print. PMID: 33196100. 5: Bae D, Choi Y, Lee J, Ha N, Suh D, Baek J, Park J, Son W. M-134, a novel HDAC6-selective inhibitor, markedly improved arthritic severity in a rodent model of rheumatoid arthritis when combined with tofacitinib. Pharmacol Rep. 2020 Nov 13. doi: 10.1007/s43440-020-00188-x. Epub ahead of print. PMID: 33188511. 6: You H, Xu D, Hou Y, Zhou J, Wang Q, Li M, Zeng X. Tofacitinib as a possible treatment for skin thickening in diffuse cutaneous systemic sclerosis. Rheumatology (Oxford). 2020 Nov 14:keaa613. doi: 10.1093/rheumatology/keaa613. Epub ahead of print. PMID: 33188425. 7: Sleutjes JAM, de Vries AC, van der Woude CJ, Roeters van Lennep JE. Lipid Profiles in Patients With Ulcerative Colitis Receiving Tofacitinib-Implications for Cardiovascular Risk and Patient Management. Inflamm Bowel Dis. 2020 Nov 6:izaa295. doi: 10.1093/ibd/izaa295. Epub ahead of print. PMID: 33155646. 8: Watanabe R, Hashimoto M, Morinobu A. Correspondence on 'The use of tocilizumab and tofacitinib in patients with resolved hepatitis B infection: a case series'. Ann Rheum Dis. 2020 Nov 3:annrheumdis-2020-219270. doi: 10.1136/annrheumdis-2020-219270. Epub ahead of print. PMID: 33144301. 9: Cohen SB, Tanaka Y, Mariette X, Curtis JR, Lee EB, Nash P, Winthrop KL, Charles-Schoeman C, Wang L, Chen C, Kwok K, Biswas P, Shapiro A, Madsen A, Wollenhaupt J. Long-term safety of tofacitinib up to 9.5 years: a comprehensive integrated analysis of the rheumatoid arthritis clinical development programme. RMD Open. 2020 Oct;6(3):e001395. doi: 10.1136/rmdopen-2020-001395. PMID: 33127856. 10: Sandborn WJ, Peyrin-Biroulet L, Quirk D, Wang W, Nduaka CI, Mukherjee A, Su C, Sands BE. Efficacy and Safety of Extended Induction with Tofacitinib for the Treatment of Ulcerative Colitis. Clin Gastroenterol Hepatol. 2020 Oct 27:S1542-3565(20)31496-8. doi: 10.1016/j.cgh.2020.10.038. Epub ahead of print. PMID: 33127596. 11: Crespo Cruz A, Del Boz J, Romero Gómez C. Good Response to Tofacitinib in Refractory Amyopathic Dermatomyositis. Actas Dermosifiliogr. 2020 Oct 27:S0001-7310(20)30434-8. English, Spanish. doi: 10.1016/j.ad.2019.07.016. Epub ahead of print. PMID: 33127420. 12: Jia E, Yan G, Xiao M, Geng H, Wei J, Zhang J. Refractory ulcerations associated with livedoid vasculopathy successfully treated with tofacitinib. Dermatol Ther. 2020 Oct 28:e14470. doi: 10.1111/dth.14470. Epub ahead of print. PMID: 33112475. 13: Verstockt B, Pouillon L, Bossuyt P. Tofacitinib and subacute pneumonitis, don't hold your breath. J Crohns Colitis. 2020 Oct 26:jjaa218. doi: 10.1093/ecco-jcc/jjaa218. Epub ahead of print. PMID: 33104197. 14: Jerjen R, Meah N, Trindade de Carvalho L, Wall D, Eisman S, Sinclair R. Treatment of alopecia areata in pre-adolescent children with oral tofacitinib: A retrospective study. Pediatr Dermatol. 2020 Oct 25. doi: 10.1111/pde.14422. Epub ahead of print. PMID: 33099833. 15: Dincer D, Tanacan E, Kose Ozkan C. Efficacy of systemic minoxidil and tofacitinib combination in treatment-resistant alopecia universalis. J Cosmet Dermatol. 2020 Oct 24. doi: 10.1111/jocd.13812. Epub ahead of print. PMID: 33098729. 16: Trigo-Vicente C, Gimeno-Ballester V, López-Del Val A. Cost-effectiveness analysis of infliximab, adalimumab, golimumab, vedolizumab and tofacitinib for moderate to severe ulcerative colitis in Spain. Eur J Hosp Pharm. 2020 Nov;27(6):355-360. doi: 10.1136/ejhpharm-2018-001833. Epub 2019 May 7. PMID: 33097619. 17: Bishu S, Melia J, Sharfman W, Lao CD, Fecher LA, Higgins PD. Efficacy and outcome of Tofacitinib in Immune checkpoint inhibitor colitis. Gastroenterology. 2020 Oct 20:S0016-5085(20)35316-6. doi: 10.1053/j.gastro.2020.10.029. Epub ahead of print. PMID: 33096100. 18: Razmjou AA, Brook J, Elashoff D, Kaeley G, Choi S, Kermani T, Ranganath VK. Ultrasound and multi-biomarker disease activity score for assessing and predicting clinical response to tofacitinib treatment in patients with rheumatoid arthritis. BMC Rheumatol. 2020 Oct 19;4:55. doi: 10.1186/s41927-020-00153-4. PMID: 33089069; PMCID: PMC7569763. 19: Bing SJ, Lyu C, Xu B, Wandu WS, Hinshaw SJ, Furumoto Y, Caspi RR, Gadina M, Gery I. Tofacitinib inhibits the development of experimental autoimmune uveitis and reduces the proportions of Th1 but not of Th17 cells. Mol Vis. 2020 Sep 26;26:641-651. PMID: 33088168; PMCID: PMC7531779. 20: Li B, Li GW, Xue L, Chen YY. Rapid remission of refractory synovitis, acne, pustulosis, hyperostosis, and osteitis syndrome in response to the Janus kinase inhibitor tofacitinib: A case report. World J Clin Cases. 2020 Oct 6;8(19):4527-4534. doi: 10.12998/wjcc.v8.i19.4527. PMID: 33083414; PMCID: PMC7559655.