for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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.
JAK-IN-1 is a JAK1/2/3 inhibitor with IC 50 s of 0.26, 0.8 and 3.2 nM, respectively. JAK-IN-1 shows improved selectivity for JAK3 over JAK1 .
In Vitro
JAK-IN-1 inhibits the proliferation of human CD4 and CD8 T cells in a dose-dependent manner upon stimulation by anti-CD3/anti-CD28 antibody-coated beads partially mimicking the activation signals brought to a Tcell by an antigen-presenting cell. JAK-IN-1 is active in both mechanistic and functional cell-based assays using T-cells, one of the major cell types in which JAK3 is potentially relevant. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
JAK-IN-1 is JAK3 selective in vivo , as judged by higher potency inhibiting JAK1/JAK3- vs JAK2- or JAK1/JAK2/TYK2-driven signaling in whole blood assays. JAK-IN-1 potently inhibits IL-2 stimulated plasma concentrations of JAK-IN-1 for each dose. JAK-IN-1 prevents IL-2-driven STAT5 phosphorylation in a dose- and concentration-dependent manner, with approximately 50% inhibition observed at the 10 mg/kg dose (plasma concentration ∼480 nM) . MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:IC50: 0.26 nM (JAK1), 0.8 nM (JAK2), 3.2 nM (JAK3)
| Canonical Smiles | CC(C)(C)C(C(=O)N1CC(C1)C#N)NC(=O)C2=CNC3=NC=C(N=C23)C4CC4 |
|---|---|
| IUPAC Name | N-[(2R)-1-(3-cyanoazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide |
| InChIKey | SIEMFXMJGAMFQR-INIZCTEOSA-N |
| INCHI | 1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(H,25,27)/t16-/m0/s1 |
| Isomeric SMILES | CC(C)(C)[C@H](C(=O)N1CC(C1)C#N)NC(=O)C2=CNC3=NC=C(N=C23)C4CC4 |
| PubChem CID | 54589404 |
| Molecular Weight | 380.44 |
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 |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | N-acyl-alpha amino acids and derivatives |
| Alternative Parents | Valine and derivatives Alpha amino acid amides Pyrrolopyrazines Pyrrole carboxamides Substituted pyrroles Pyrazines Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Azacyclic compounds Nitriles Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-acyl-alpha amino acid or derivatives - Valine or derivatives - Alpha-amino acid amide - Pyrrolopyrazine - Pyrrole-3-carboxamide - Pyrrole-3-carboxylic acid or derivatives - Pyrazine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Azetidine - Nitrile - Carbonitrile - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom. |
| External Descriptors | Not available |
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| Solubility | DMSO : 66.67 mg/mL (175.24 mM; Need ultrasonic) |
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