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Chemical structure of JAK-IN-3

GC65453

JAK-IN-3

Also known as 4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide

JAK-IN-3 (compound 22) is a potent JAK inhibitor, with IC50 values of 3 nM, 5 nM, 34 nM and 70 nM for JAK3, JAK1, TYK2 and JAK2, respectively

ChemicalCAS1400876-94-9MW340.38FormulaC18H20N4O3
CAS number
1400876-94-9
Molecular weight
340.38
Formula
C18H20N4O3
InChIKey
PRWQQLFMBINSAW-IAQYHMDHSA-N
Catalogue number
GC65453
Brand
GLPBIO
Computed properties PubChem CID 68291755 · XLogP 1.2 · TPSA 113 Ų · H-bond donors 4
XLogP
1.2
TPSA
113 Ų
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
25

SMILES C[C@H]([C@@H](CO)NC1=C(C=NN2C1=CC(=C2)C3=CC=CC=C3)C(=O)N)O

Computed descriptors from PubChem (CID 68291755), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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