Icotrokinra | JNJ-77242113 | IL-23 receptor agonist | CAS#2763602-16-8

MedKoo Cat#: 128684 | Name: Icotrokinra

Description:

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

Icotrokinra (JNJ-77242113) is an orally available, selective antagonist of the IL-23 receptor.

Chemical Structure

Icotrokinra

CAS#2763602-16-8

Theoretical Analysis

MedKoo Cat#: 128684

Name: Icotrokinra

CAS#: 2763602-16-8

Chemical Formula: C90H120N20O22S2

Exact Mass: 1896.8327

Molecular Weight: 1898.19

Elemental Analysis: C, 56.95; H, 6.37; N, 14.76; O, 18.54; S, 3.38

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.

Bulk Inquiry

Related CAS #

No Data

Synonym

Icotrokinra; JNJ-77242113; JNJ-2113; PN-235

IUPAC/Chemical Name

(S)-4-(4-((S)-2-((S)-2-((4R,7S,10S,13S,16S,19R)-19-acetamido-7-(4-acetamidobutyl)-16-(2-amino-2-oxoethyl)-13-((R)-1-hydroxyethyl)-3,3,20,20-tetramethyl-10-((7-methyl-1H-indol-3-yl)methyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamido)-3-(4-(2-aminoethoxy)phenyl)propanamido)-3-(naphthalen-2-yl)propanamido)tetrahydro-2H-pyran-4-carboxamido)-5-(((S)-4-amino-1-(((S)-1-((2-amino-2-oxoethyl)(methyl)amino)-1-oxo-3-(pyridin-3-yl)propan-2-yl)amino)-1,4-dioxobutan-2-yl)amino)-5-oxopentanoic acid

InChi Key

IVFNYXYPMJQSGF-QMRCQSNESA-N

InChi Code

InChI=1S/C90H120N20O22S2/c1-48-16-14-20-59-57(46-97-72(48)59)42-64-79(122)99-60(21-12-13-34-96-50(3)112)77(120)108-75(89(7,8)134-133-88(5,6)74(98-51(4)113)84(127)104-66(44-69(93)115)81(124)107-73(49(2)111)83(126)102-64)85(128)103-62(39-52-23-26-58(27-24-52)132-37-32-91)78(121)100-63(40-53-22-25-55-18-10-11-19-56(55)38-53)82(125)109-90(30-35-131-36-31-90)87(130)106-61(28-29-71(117)118)76(119)101-65(43-68(92)114)80(123)105-67(41-54-17-15-33-95-45-54)86(129)110(9)47-70(94)116/h10-11,14-20,22-27,33,38,45-46,49,60-67,73-75,97,111H,12-13,21,28-32,34-37,39-44,47,91H2,1-9H3,(H2,92,114)(H2,93,115)(H2,94,116)(H,96,112)(H,98,113)(H,99,122)(H,100,121)(H,101,119)(H,102,126)(H,103,128)(H,104,127)(H,105,123)(H,106,130)(H,107,124)(H,108,120)(H,109,125)(H,117,118)/t49-,60+,61+,62+,63+,64+,65+,66+,67+,73+,74-,75-/m1/s1

SMILES Code

NCCOC(C=C1)=CC=C1C[C@H](NC([C@H]2NC([C@@H](NC([C@@H](NC([C@](NC([C@@H](NC([C@H](C(C)(SSC2(C)C)C)NC(C)=O)=O)CC(N)=O)=O)([H])[C@H](O)C)=O)CC(C3=CC=C4)=CNC3=C4C)=O)CCCCNC(C)=O)=O)=O)C(N[C@@H](CC5=CC6=C(C=CC=C6)C=C5)C(NC7(CCOCC7)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC(N)=O)C(N[C@H](C(N(C)CC(N)=O)=O)CC8=CN=CC=C8)=O)=O)=O)=O)=O

Appearance

To be determined

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

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 1,898.19 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

Fourie AM, Cheng X, Chang L, Greving C, Li X, Knight B, Polidori D, Patrick A, Bains T, Steele R, Allen SJ, Patch RJ, Sun C, Somani S, Bhandari A, Liu D, Huie K, Li S, Rodriguez MA, Xue X, Kannan A, Kosoglou T, Sherlock JP, Towne J, Holland MC, Modi NB. JNJ-77242113, a highly potent, selective peptide targeting the IL-23 receptor, provides robust IL-23 pathway inhibition upon oral dosing in rats and humans. Sci Rep. 2024 Jul 30;14(1):17515. doi: 10.1038/s41598-024-67371-5. PMID: 39080319; PMCID: PMC11289455.