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Chemical structure of Kgp-IN-1 hydrochloride

GC60218

Kgp-IN-1 hydrochloride

Also known as N-[(3S)-6-(diaminomethylideneamino)-2-oxo-1-(2,3,5,6-tetrafluorophenoxy)hexan-3-yl]cyclopentanecarboxamide;hydrochloride

Kgp-IN-1 hydrochloride is an arginine-specific gingipain (Rgp) inhibitor extracted from patent WO2017201322A1, compound 13-R

ChemicalCAS2097865-47-7MW468.87FormulaC19H25ClF4N4O3
CAS number
2097865-47-7
Molecular weight
468.87
Formula
C19H25ClF4N4O3
Solubility
DMSO： 125 mg/mL (266·60 mM)
InChIKey
PZWDKAZULMZGDB-ZOWNYOTGSA-N
Catalogue number
GC60218
Brand
GLPBIO
Computed properties PubChem CID 135379556 · TPSA 120 Ų · H-bond donors 4 · H-bond acceptors 8
TPSA
120 Ų
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
31

SMILES C1CCC(C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)COC2=C(C(=CC(=C2F)F)F)F.Cl

Computed descriptors from PubChem (CID 135379556), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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