ChemicalBook >> CAS DataBase List >>3-Pyridinecarbonitrile, 6-[(1Z)-2-[3-[(1S,5S,6S)-3-amino-5-methyl-1-(4-morpholinylcarbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-

3-Pyridinecarbonitrile, 6-[(1Z)-2-[3-[(1S,5S,6S)-3-amino-5-methyl-1-(4-morpholinylcarbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-

CAS No.
2079945-75-6
Chemical Name:
3-Pyridinecarbonitrile, 6-[(1Z)-2-[3-[(1S,5S,6S)-3-amino-5-methyl-1-(4-morpholinylcarbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-
Synonyms
BACE1-IN-6;Compound 15;3-Pyridinecarbonitrile, 6-[(1Z)-2-[3-[(1S,5S,6S)-3-amino-5-methyl-1-(4-morpholinylcarbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-
CBNumber:
CB710824187
Molecular Formula:
C25H23F2N5O2S
Molecular Weight:
495.54
MDL Number:
MOL File:
2079945-75-6.mol
MSDS File:
SDS
Last updated:2025-04-18 09:52:35

3-Pyridinecarbonitrile, 6-[(1Z)-2-[3-[(1S,5S,6S)-3-amino-5-methyl-1-(4-morpholinylcarbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-fluoroethenyl]- Properties

Boiling point 713.7±70.0 °C(Predicted)
Density 1.45±0.1 g/cm3(Predicted)
pka 4.94±0.60(Predicted)

3-Pyridinecarbonitrile, 6-[(1Z)-2-[3-[(1S,5S,6S)-3-amino-5-methyl-1-(4-morpholinylcarbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-fluoroethenyl]- Chemical Properties, Uses, Production

Uses

BACE1-IN-6 is a BACE1 inhibitor with an IC50 value of 1.5 nM.

References

[1] Frohn M, et al. The development of a structurally distinct series of BACE1 inhibitors via the (Z)-fluoro-olefin amide bioisosteric replacement. Bioorg Med Chem Lett. 2020 Jul 15;30(14):127240. DOI:10.1016/j.bmcl.2020.127240

3-Pyridinecarbonitrile, 6-[(1Z)-2-[3-[(1S,5S,6S)-3-amino-5-methyl-1-(4-morpholinylcarbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-fluoroethenyl]- Preparation Products And Raw materials

Raw materials

Preparation Products

3-Pyridinecarbonitrile, 6-[(1Z)-2-[3-[(1S,5S,6S)-3-amino-5-methyl-1-(4-morpholinylcarbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-fluoroethenyl]- Suppliers

Global Suppliers ( 3)
Supplier Tel Email Country ProdList Advantage
BOC Sciences 16314854226; +8616314854226 inquiry@bocsci.com United States 19852 58
TargetMol Chemicals Inc. 15002134094 marketing@targetmol.cn China 29874 58
Supplier Advantage
BOC Sciences 58
TargetMol Chemicals Inc. 58
3-Pyridinecarbonitrile, 6-[(1Z)-2-[3-[(1S,5S,6S)-3-amino-5-methyl-1-(4-morpholinylcarbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-fluoroethenyl]- BACE1-IN-6 Compound 15 2079945-75-6