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Chemical structure of PCSK9-IN-13

GC73197

PCSK9-IN-13

Also known as N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide

PCSK9-IN-13(compound 3f) is a potent PCSK9 inhibitor, which can antagonize low-density lipoprotein (LDL) receptor binding by binding to PCSK9, with an IC50 of 537 nM

ChemicalCAS2244129-23-3MW495.62FormulaC30H33N5O2
CAS number
2244129-23-3
Molecular weight
495.62
Formula
C30H33N5O2
Solubility
DMSO ： 100 mg/mL (201·77 mM; Need ultrasonic)
InChIKey
SUNSLACFIOGRFF-VWLOTQADSA-N
Catalogue number
GC73197
Brand
GLPBIO
Computed properties PubChem CID 135331297 · XLogP 4.3 · TPSA 85.4 Ų · H-bond donors 2
XLogP
4.3
TPSA
85.4 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
37

SMILES CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)CN3CCC[C@@H](C3)N)N4C=C(N=C4)C)OC5=CC=CC=C5

Computed descriptors from PubChem (CID 135331297), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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