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Chemical structure of Icotrokinra

GC74335

Icotrokinra

Also known as (4S)-4-[[4-[[(2S)-2-[[(2S)-2-[[(4R,7S,10S,13S,16S,19R)-19-acetamido-7-(4-acetamidobutyl)-16-(2-amino-2-oxoethyl)-13-[(1R)-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-pentazacycloicosane-4-carbonyl]amino]-3-[4-(2-aminoethoxy)phenyl]propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]oxane-4-carbonyl]amino]-5-[[(2S)-4-amino-1-[[(2S)-1-[(2-amino-2-oxoethyl)-methylamino]-1-oxo-3-pyridin-3-ylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid

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

ChemicalCAS2763602-16-8MW1898.17FormulaC90H120N20O22S2
CAS number
2763602-16-8
Molecular weight
1898.17
Formula
C90H120N20O22S2
Solubility
DMSO ： 100 mg/mL (52·68 mM; Need ultrasonic)
InChIKey
IVFNYXYPMJQSGF-QMRCQSNESA-N
Catalogue number
GC74335
Brand
GLPBIO
Computed properties PubChem CID 162462321 · XLogP -3.4 · TPSA 709 Ų · H-bond donors 20
XLogP
-3.4
TPSA
709 Ų
H-bond donors
20
H-bond acceptors
26
Rotatable bonds
40
Heavy atoms
134

SMILES CC1=C2C(=CC=C1)C(=CN2)C[C@H]3C(=O)N[C@H](C(=O)N[C@@H](C(SSC([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)[C@@H](C)O)CC(=O)N)NC(=O)C)(C)C)(C)C)C(=O)N[C@@H](CC4=CC=C(C=C4)OCCN)C(=O)N[C@@H](CC5=CC6=CC=CC=C6C=C5)C(=O)NC7(CCOCC7)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC8=CN=CC=C8)C(=O)N(C)CC(=O)N)CCCCNC(=O)C

Computed descriptors from PubChem (CID 162462321), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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