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NB-360

CAT: 1410-M26324-07Size: 500 mgDry Ice: NoHazardous: No
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CAT#:1410-M26324-07Size:500 mg
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Description
NB-360 is a potent and brain-penetrable inhibitor of BACE1 and BACE2 with IC50s of 5, 5, and 6 nM for mouse and human BACE1 and BACE2. NB-360 exhibits excellent selectivity over the related aspartyl proteases pepsin, cathepsin E, and cathepsin D.
CAS Number
1262857-73-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
449.41
Molecular Formula
C21H19F4N5O2
Notes
Research use only, not for human use.
Receptor
Lp-PLA2

Chemical Information

NB-360

a BACE-1 inhibitor that blocks amyloid-beta deposition; structure in first source

CAS Number1262857-73-7
PubChem CID66665322
IUPAC NameN-[3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-cyano-3-methylpyridine-2-carboxamide
Molecular FormulaC21H19F4N5O2
Molecular Weight449.4
XLogP2.2
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity812
SMILES
CC1=CC(=CN=C1C(=O)NC2=CC(=C(C=C2)F)[C@@]3(CO[C@@](C(=N3)N)(C)C(F)(F)F)C)C#N
InChI
InChI=1S/C21H19F4N5O2/c1-11-6-12(8-26)9-28-16(11)17(31)29-13-4-5-15(22)14(7-13)19(2)10-32-20(3,18(27)30-19)21(23,24)25/h4-7,9H,10H2,1-3H3,(H2,27,30)(H,29,31)/t19-,20+/m0/s1
InChIKey
BQFHTVUWPJXLOW-VQTJNVASSA-N
Chemical Structure
2D Structure
2D structure of NB-360
CAS: 1262857-73-7
CID: 66665322
Formula: C21H19F4N5O2
MW: 449.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.4
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass449.14748751
Monoisotopic Mass449.14748751
Topological Polar Surface Area113 Ų
Heavy Atom Count32
Formal Charge0
Complexity812
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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