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Chemical structure of JAK3-IN-1

GC33046

JAK3-IN-1

Also known as N-[3-[[[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide

JAK3-IN-1 is a potent, selective and orally active JAK3 inhibitor with an IC50 of 4·8 nM· JAK3-IN-1 shows over 180-fold more selective for JAK3 than JAK1 (IC50 of 896 nM) and JAK2 (IC50 of 1050 nM)

ChemicalCAS1805787-93-2MW508.02FormulaC26H30ClN7O2
CAS number
1805787-93-2
Molecular weight
508.02
Formula
C26H30ClN7O2
Solubility
DMSO ： ≥ 47 mg/mL (92·52 mM)
InChIKey
UGXCBYVBIJACEK-UHFFFAOYSA-N
Catalogue number
GC33046
Brand
GLPBIO
Computed properties PubChem CID 92042864 · XLogP 4.2 · TPSA 94.7 Ų · H-bond donors 3
XLogP
4.2
TPSA
94.7 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
36

SMILES CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NCC4=CC(=CC=C4)NC(=O)C=C)Cl)OC

Computed descriptors from PubChem (CID 92042864), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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