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Chemical structure of TNF-α-IN-2

GC63231

TNF-α-IN-2

Also known as 3-[(1R)-1-[[3-chloro-7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methyl-1,5-naphthyridin-4-yl]amino]ethyl]-4-fluorobenzonitrile

TNF-α-IN-2 is a potent and orally active inhibitor of tumor necrosis factor alpha (TNFα), with an IC50 of 25 nM in the HTRF assay

ChemicalCAS2074702-04-6MW494.92FormulaC25H21ClF2N6O
CAS number
2074702-04-6
Molecular weight
494.92
Formula
C25H21ClF2N6O
InChIKey
UDLNDXDUOBMZIQ-GFCCVEGCSA-N
Catalogue number
GC63231
Brand
GLPBIO
Computed properties PubChem CID 126532303 · XLogP 3.7 · TPSA 108 Ų · H-bond donors 2
XLogP
3.7
TPSA
108 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
35

SMILES CC1=NC2=CC(=C(N=C2C(=C1Cl)N[C@H](C)C3=C(C=CC(=C3)C#N)F)C4=CN=C(N=C4)C(C)(C)O)F

Computed descriptors from PubChem (CID 126532303), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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