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Chemical structure of LSP-249

GC62700

LSP-249

Also known as N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide

LSP-249 (example 35), extracted from patent WO2016011209A1, is a plasma kallikrein inhibitor under the study for angioedema, with an EC50 less than 100 nM in cell

ChemicalCAS1801253-04-2MW431.92FormulaC24H22ClN5O
CAS number
1801253-04-2
Molecular weight
431.92
Formula
C24H22ClN5O
Solubility
DMSO ： 31·25 mg/mL (72·35 mM; ultrasonic and warming and heat to 60°C)
InChIKey
BDLURRLRBKLEDL-UHFFFAOYSA-N
Catalogue number
GC62700
Brand
GLPBIO
Computed properties PubChem CID 118665163 · XLogP 3.8 · TPSA 93.8 Ų · H-bond donors 2
XLogP
3.8
TPSA
93.8 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31

SMILES CC1=CC(=NC(=C1CNC(=O)C2=CC(=NC=C2)CC3=CC4=CC(=CN=C4C=C3)Cl)C)N

Computed descriptors from PubChem (CID 118665163), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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