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Chemical structure of LMPTP INHIBITOR 1 dihydrochloride

GC19223

LMPTP INHIBITOR 1 dihydrochloride

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

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

ChemicalCAS2310135-46-5MW517.53FormulaC28H38Cl2N4O
CAS number
2310135-46-5
Molecular weight
517.53
Formula
C28H38Cl2N4O
Solubility
DMSO : ≥ 64 mg/mL (123·66 mM)
InChIKey
YDTJMPCNLMSGEO-UHFFFAOYSA-N
Catalogue number
GC19223
Brand
GLPBIO
Computed properties PubChem CID 134691744 · TPSA 48.5 Ų · H-bond donors 3 · H-bond acceptors 4
TPSA
48.5 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
35

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

Computed descriptors from PubChem (CID 134691744), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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