for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Tyk2-IN-5 (compound 6) is a potent, selective and orally active tyrosine kinase 2 ( Tyk2 ) inhibitor that acts on the JH2 structural domain. Tyk2-IN-5 shows a K i value of 0.086 nM for Tyk2 JH2 and an IC 50 value of 25 nM for IFNα. Tyk2-IN-5 efficiently inhibits the production of IFNγ in a pharmacodynamic rat model and is fully efficacious in a rat model of arthritis
In Vitro
Tyk2-IN-5 inhibits Jak1-3 with IC 50 values of >2 μM and displays the Jak1-3 dependent cellular activities of >12.5 μM (IC 50 values). MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
Tyk2-IN-5 (5, 10 mg/kg; p.o.; twice daily for 20 days) shows highly efficacious in a rat adjuvant arthritis model . Tyk2-IN-5 (1, 10 mg/kg; p.o.; single) inhibits IL-12/IL-18 induced IFNγ production in a dose-dependent manner . Tyk2-IN-5 (10 mg/kg; p.o.; single) shows a high oral exposure and bioavailability (114%) in rat . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Lewis male rats (rat adjuvant arthritis model) . Dosage: 5, 10 mg/kg Administration: Oral administration; twice daily for 20 days Result: Demonstrated full efficacy to prevent the rats′ paw from swelling. Animal Model: Lewis male rats (IL-12/IL-18-induced) . Dosage: 1, 10 mg/kg Administration: Oral administration; single Result: Inhibited IL-12/IL-18 induced IFNγ production by 45% and 77% at doses of 1 and 10 mg/kg, respectively. Animal Model: Lewis male rats, mouse . Dosage: 10 mg/kg Administration: Oral administration; single Result: 1.19 Pharmacokinetic Parameters of Tyk2-IN-5 in mouse and rat . PO (10 mg/kg) mouse rat C max (μM) 15 9.4 AUC 0-24 (μM•h) 19 57 CL (mL/min/kg) 16 7.8 F (%) 86 114
Form:Solid
IC50& Target:Tyk2 JH2 0.086 nM (Ki) IFNα 25 nM (IC 50 )
| Sorrisi canonici | CNC1=CC(=NN2C1=NC=C2C(=O)NC3CC3F)NC4=CC=CN(C4=O)C5=CC=CC=N5 |
|---|---|
| IUPAC Name | N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[(2-oxo-1-pyridin-2-ylpyridin-3-yl)amino]imidazo[1,2-b]pyridazine-3-carboxamide |
| InChIKey | YITUGUNLCGLOII-GXTWGEPZSA-N |
| INCHI | 1S/C21H19FN8O2/c1-23-15-10-17(26-13-5-4-8-29(21(13)32)18-6-2-3-7-24-18)28-30-16(11-25-19(15)30)20(31)27-14-9-12(14)22/h2-8,10-12,14,23H,9H2,1H3,(H,26,28)(H,27,31)/t12-,14+/m0/s1 |
| Isomeri SMILES | CNC1=CC(=NN2C1=NC=C2C(=O)N[C@@H]3C[C@@H]3F)NC4=CC=CN(C4=O)C5=CC=CC=N5 |
| PubChem CID | 91809175 |
| Peso molecolare | 434.43 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Classe | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Carboxylic acid amides |
| Direct Parent | 2-heteroaryl carboxamides |
| Alternative Parents | Secondary alkylarylamines Pyridinones Aminopyridazines Aminopyridines and derivatives Carbonylimidazoles Dihydropyridines N-substituted imidazoles Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Lactams Azacyclic compounds Organic oxides Alkyl fluorides Organofluorides Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-heteroaryl carboxamide - Pyridinone - Aminopyridazine - Aminopyridine - Secondary aliphatic/aromatic amine - Imidazole-4-carbonyl group - Dihydropyridine - N-substituted imidazole - Pyridazine - Pyridine - Imidolactam - Hydropyridine - Azole - Imidazole - Heteroaromatic compound - Secondary carboxylic acid amide - Lactam - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Organooxygen compound - Amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide group. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Solubilità | DMSO : 43.33 mg/mL (99.74 mM; Need ultrasonic) |
|---|---|
| Peso molecolare | 434.400 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 434.162 Da |
| Monoisotopic Mass | 434.162 Da |
| Topological Polar Surface Area | 117.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 807.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
