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Chemical structure of AMG-548 dihydrochloride

GC38518

AMG-548 dihydrochloride

Also known as 2-[(2-amino-3-phenylpropyl)amino]-3-methyl-5-naphthalen-2-yl-6-pyridin-4-ylpyrimidin-4-one;dihydrochloride

AMG-548 dihydrochloride, an orally active and selective p38α inhibitor (Ki=0·5 nM), shows slightly selective over p38β (Ki=36 nM) and >1000 fold selective against p38γ and p38δ

ChemicalCAS2518299-32-4MW534.48FormulaC29H29Cl2N5O
CAS number
2518299-32-4
Molecular weight
534.48
Formula
C29H29Cl2N5O
Solubility
DMSO ： 10 mg/mL (18·71 mM; ultrasonic and warming and heat to 60°C)
InChIKey
WQZUYJOJJJERDI-UHFFFAOYSA-N
Catalogue number
GC38518
Brand
GLPBIO
Computed properties PubChem CID 154805953 · TPSA 83.6 Ų · H-bond donors 4 · H-bond acceptors 4
TPSA
83.6 Ų
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
37

SMILES CN1C(=O)C(=C(N=C1NCC(CC2=CC=CC=C2)N)C3=CC=NC=C3)C4=CC5=CC=CC=C5C=C4.Cl.Cl

Computed descriptors from PubChem (CID 154805953), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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