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Chemical structure of LMPTP INHIBITOR 1 hydrochloride

GC34353

LMPTP INHIBITOR 1 hydrochloride

Also known as N,N-diethyl-4-[4-(3-piperidin-1-ylpropylamino)quinolin-2-yl]benzamide;hydrochloride

LMPTP inhibitor 1 hydrochloride is a selective inhibitor of low molecular weight protein tyrosine phosphatase (LMPTP), with an IC50 of 0·8 μM LMPTP-A

ChemicalCAS2310135-38-5MW481.07FormulaC28H37ClN4O
CAS number
2310135-38-5
Molecular weight
481.07
Formula
C28H37ClN4O
Solubility
Soluble in DMSO
InChIKey
WYRLEOWACOXSQP-UHFFFAOYSA-N
Catalogue number
GC34353
Brand
GLPBIO
Computed properties PubChem CID 134691743 · TPSA 48.5 Ų · H-bond donors 2 · H-bond acceptors 4
TPSA
48.5 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
34

SMILES CCN(CC)C(=O)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)NCCCN4CCCCC4.Cl

Computed descriptors from PubChem (CID 134691743), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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