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Chemical structure of AMPD2 inhibitor 1

GC31229

AMPD2 inhibitor 1

Also known as 6-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]pyridine-3-carboxylic acid

AMPD2 inhibitor 1 is an adenosine monophosphate deaminase 2 (AMPD2) inhibitor, used in the research of sugar craving, salt craving, umami craving, and addictions including drug, tobacco, nicotine and alcohol addictions

ChemicalCAS2139356-35-5MW382.45FormulaC25H22N2O2
CAS number
2139356-35-5
Molecular weight
382.45
Formula
C25H22N2O2
Solubility
DMSO ： 33·33 mg/mL (87·15 mM; Need ultrasonic)
InChIKey
YZNXMOIDDMETFM-QGZVFWFLSA-N
Catalogue number
GC31229
Brand
GLPBIO
Computed properties PubChem CID 91970654 · XLogP 2.3 · TPSA 62.2 Ų · H-bond donors 2
XLogP
2.3
TPSA
62.2 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
29

SMILES C[C@H](C1=CC=CC2=CC=CC=C21)NCC3=CC=C(C=C3)C4=NC=C(C=C4)C(=O)O

Computed descriptors from PubChem (CID 91970654), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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