NVS-ZP7-4

Description: NVS-ZP7-4 inhibits Notch signaling with IC50 of 0.13 uM in HES-Luc reporter gene assays, selectively induces apoptosis and ER stress. NVS-ZP7-4 is the first reported chemical tool to probe the impact of modulating ER zinc levels and investigate ZIP7 as a novel druggable node in the Notch pathway.

• Catalog: OFC2349367899
• CAS: 2349367-89-9
• Category: Fluorinated APIs
• Synonyms: 1'-[(2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-3-phenylpropyl]spiro[1,3-dihydroquinazoline-4,4'-piperidine]-2-one
• Purity: >98%

• IUPAC Name: 1'-[(2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-3-phenylpropyl]spiro[1,3-dihydroquinazoline-4,4'-piperidine]-2-one
• InChI: InChI=1S/C28H28FN5OS/c29-20-10-11-24-25(17-20)36-27(32-24)30-21(16-19-6-2-1-3-7-19)18-34-14-12-28(13-15-34)22-8-4-5-9-23(22)31-26(35)33-28/h1-11,17,21H,12-16,18H2,(H,30,32)(H2,31,33,35)/t21-/m0/s1
• InChI Key: FZOFDZMKSAUTHT-NRFANRHFSA-N
• Isomeric SMILES: C1CN(CCC12C3=CC=CC=C3NC(=O)N2)C[C@H](CC4=CC=CC=C4)NC5=NC6=C(S5)C=C(C=C6)F

• Molecular Formula: C28H28FN5OS
• Molecular Weight: 501.62
• Appearance: White to off-white solid powder

• XLogP3-AA: 5.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 501.19985987 g/mol
• Monoisotopic Mass: 501.19985987 g/mol
• Topological Polar Surface Area: 97.5Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 758