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Chemical structure of XT2

GC65586

XT2

Also known as (2R)-4-[3-(2-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4-fluorophenyl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol

XT2 is a potent, orally active, and selective inhibitor of NF-κB-inducing kinase (NIK) with an IC50 of 9·1 nM

ChemicalCAS2582816-37-1MW379.41FormulaC19H14FN5OS
CAS number
2582816-37-1
Molecular weight
379.41
Formula
C19H14FN5OS
InChIKey
NFAPIBSJICIXGB-LJQANCHMSA-N
Catalogue number
GC65586
Brand
GLPBIO
Computed properties PubChem CID 155517858 · XLogP 2.3 · TPSA 129 Ų · H-bond donors 3
XLogP
2.3
TPSA
129 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
27

SMILES C[C@@](C#CC1=CC(=C(C=C1)F)C2=CNC3=CN=C(N=C23)N)(C4=NC=CS4)O

Computed descriptors from PubChem (CID 155517858), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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