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Chemical structure of NKP608

GC36749

NKP608

Also known as N-[(2R,4S)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-4-yl]quinoline-4-carboxamide

NKP608 is a non-peptidic derivative of 4-aminopiperidine which acts as a selective, specific and potent antagonist at the neurokinin-1 (NK-1) receptor both in vitro(IC50=2·6 nM) and in vivo

ChemicalCAS177707-12-9MW619.98FormulaC31H24ClF6N3O2
CAS number
177707-12-9
Molecular weight
619.98
Formula
C31H24ClF6N3O2
Solubility
DMSO： 100 mg/mL (161·30 mM); Water： ＜ 0·1 mg/mL (insoluble)
InChIKey
NXLUTEDAEFXMQR-BJKOFHAPSA-N
Catalogue number
GC36749
Brand
GLPBIO
Computed properties PubChem CID 9917079 · XLogP 7.6 · TPSA 62.3 Ų · H-bond donors 1
XLogP
7.6
TPSA
62.3 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
43

SMILES C1CN([C@@H](C[C@H]1NC(=O)C2=CC=NC3=CC=CC=C23)CC4=CC=C(C=C4)Cl)C(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

Computed descriptors from PubChem (CID 9917079), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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