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

MedKoo CAT#: 206174

CAS#: 1334298-90-6

Description: Itacitinib, also known as INCB39110 or INCB039110, is a potent JAK1 tyrosine kinase inhibitor, which is currently in Phase II trials for the treatment of rheumatoid arthritis, myelofibrosis, rheumatoid arthritis and plaque psoriasis. INCB039110 produced significant improvements in sPGA, demonstrating proof of concept in chronic plaque psoriasis.


Chemical Structure

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Itacitinib
CAS# 1334298-90-6

Theoretical Analysis

MedKoo Cat#: 206174
Name: Itacitinib
CAS#: 1334298-90-6
Chemical Formula: C26H23F4N9O
Exact Mass: 553.1962
Molecular Weight: 553.51
Elemental Analysis: C, 56.42; H, 4.19; F, 13.73; N, 22.77; O, 2.89

Price and Availability

Size Price Availability Quantity
5.0mg USD 90.0 Same day
10.0mg USD 150.0 Same day
25.0mg USD 330.0 Same day
50.0mg USD 550.0 Same day
100.0mg USD 950.0 Same day
200.0mg USD 1650.0 Same day
500.0mg USD 2650.0 Same day
1.0g USD 3450.0 2 Weeks
2.0g USD 5650.0 2 Weeks
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Synonym: INCB39110; INCB 39110; INCB-39110; INCB039110; INCB-039110; INCB 039110; Itacitinib; 1334298-96-2

IUPAC/Chemical Name: 2-(3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(1-(3-fluoro-2-(trifluoromethyl)isonicotinoyl)piperidin-4-yl)azetidin-3-yl)acetonitrile

InChi Key: KTBSXLIQKWEBRB-UHFFFAOYSA-N

InChi Code: InChI=1S/C26H23F4N9O/c27-20-18(1-7-32-22(20)26(28,29)30)24(40)37-9-3-17(4-10-37)38-13-25(14-38,5-6-31)39-12-16(11-36-39)21-19-2-8-33-23(19)35-15-34-21/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,33,34,35)

SMILES Code: N#CCC1(N2N=CC(C3=C4C(NC=C4)=NC=N3)=C2)CN(C5CCN(C(C6=C(F)C(C(F)(F)F)=NC=C6)=O)CC5)C1

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, 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

Preparing Stock Solutions

The following data is based on the product molecular weight 553.51 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

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1: Yiu ZZ, Warren RB. Novel Oral Therapies for Psoriasis and Psoriatic Arthritis. Am J Clin Dermatol. 2016 Jun;17(3):191-200. doi: 10.1007/s40257-016-0179-3. PubMed PMID: 26923915.

2: Bissonnette R, Luchi M, Fidelus-Gort R, Jackson S, Zhang H, Flores R, Newton R, Scherle P, Yeleswaram S, Chen X, Menter A. A randomized, double-blind, placebo-controlled, dose-escalation study of the safety and efficacy of INCB039110, an oral janus kinase 1 inhibitor, in patients with stable, chronic plaque psoriasis. J Dermatolog Treat. 2016 Jan 14:1-7. [Epub ahead of print] PubMed PMID: 26769332.

3: Zhang Y, Warren MS, Zhang X, Diamond S, Williams B, Punwani N, Huang J, Huang Y, Yeleswaram S. Impact on creatinine renal clearance by the interplay of multiple renal transporters: a case study with INCB039110. Drug Metab Dispos. 2015 Apr;43(4):485-9. doi: 10.1124/dmd.114.060673. Epub 2015 Jan 20. PubMed PMID: 25605813.

4: Rosenthal A, Mesa RA. Janus kinase inhibitors for the treatment of myeloproliferative neoplasms. Expert Opin Pharmacother. 2014 Jun;15(9):1265-76. doi: 10.1517/14656566.2014.913024. Epub 2014 Apr 25. Review. PubMed PMID: 24766055.

5.  Liu, Pingli; Wang, Dengjin; Wu, Yongzhong; Cao, Ganfeng; Xia, Michael.  A process for the preparation of key intermediates towards the synthesis of fluorotrifluoromethylisonicotinoylpiperi​dinylpyrrolopyrimidinylpyrazolylazetidin​ylacetonitrile for use as a JAK inhibitor.  U.S. Pat. Appl. Publ. (2014), US 20140256941 A1 20140911.



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