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Chemical structure of iJak-381

GB62277

iJak-381

Also known as N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-cyanoethyl(methyl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

iJAK-381 is a novel, small-molecule inhibitor selectively targeting the Janus kinase (JAK) family, including JAK1, JAK2, JAK3 and TYK with IC50 values of 8·52, 53·4, 5998 and 240nM respectively at 1mM ATP

ChemicalCAS1831144-46-7MW612.0388FormulaC28H28ClF2N9O3
CAS number
1831144-46-7
Molecular weight
612.0388
Formula
C28H28ClF2N9O3
Solubility
Soluble in DMSO
InChIKey
ITNFPSJJBYFVEA-UHFFFAOYSA-N
Catalogue number
GB62277
Brand
GLPBIO
Computed properties PubChem CID 118522534 · XLogP 2.6 · TPSA 134 Ų · H-bond donors 1
XLogP
2.6
TPSA
134 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
43

SMILES CN(CCC#N)C1CCN(CC1)C(=O)CN2C=C(C(=N2)C3=C(C=CC(=C3)Cl)OC(F)F)NC(=O)C4=C5N=CC=CN5N=C4

Computed descriptors from PubChem (CID 118522534), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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