NB-360

CAT: 0931-T12188-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No

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CAT#:0931-T12188-03Size:1 mL - 10 mM (in DMSO)

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1262857-73-7

Target

Beta-Secretase, BACE

Related Pathways

Neuroscience

Purity

0.9972

Bioactivity

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.

Smiles

Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N

Molecular Formula

C21H19F4N5O2

Molecular Weight

449.4

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

NB-360

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

CAS Number	1262857-73-7
PubChem CID	66665322
IUPAC Name	N-[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 Formula	C21H19F4N5O2
Molecular Weight	449.4
XLogP	2.2
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Heavy Atom Count	32
Formal Charge	0
Complexity	812

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

CAS: 1262857-73-7

CID: 66665322

Formula: C21H19F4N5O2

MW: 449.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	449.4
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	449.14748751
Monoisotopic Mass	449.14748751
Topological Polar Surface Area	113 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	812
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T71383-01	NB-533
TN6571	Nb-Feruloyltryptamine
T33603	Nb-enantride
T9901A-1909-01	CSL-360
T16512-01	PFE-360
T6810-01	CPI-360
T18558-01	PPC-NB
T68278-01	NB-216
TQ0115-01	NB-598
T28133-01	NB-64

Alternative Products

Catalog	Name
HY-124322-01	NB-360
555240	NB-360 free base
NBHB01	1X NB Hybridization Buffer for NB Assay
BA3685-5.1	PFE-360
407246	CPI-360
BA2438-250	PPC-NB
EG23514S	Nb.BbvCI
GDD31890-01	PDdEC-NB
HY-N3210	Nb-Demethylechitamine
380916	Nb-Feruloyltryptamine

NB-360

Chemical Information

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