NB-360

CAT: 0804-HY-124322-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No

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CAT#:0804-HY-124322-02Size:10 mM - 1 mL

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

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Description

NB-360 is a potent, brain penetrable and orally active β‐secretase 1/2 (BACE1/BACE2) dual inhibitor with IC50 values of 5 and 6 nM. NB-360 can inhibit amyloid-β protein accumulation. NB-360 can be used for the researches of inflammation and neurological disease, such as Alzheimer's disease[1][2].

CAS Number

1262857-73-7

UNSPSC

12352005

Target

Amyloid-β; Beta-secretase

Type

Reference compound

Related Pathways

Neuronal Signaling

Applications

Neuroscience-Neurodegeneration

Field of Research

Inflammation/Immunology; Neurological Disease

Assay Protocol

https://www.medchemexpress.com/nb-360.html

Purity

99.08

Solubility

DMSO : 250 mg/mL (ultrasonic)

Smiles

O=C(C1=NC=C(C#N)C=C1C)NC2=CC=C(F)C([C@]3(C)CO[C@](C(F)(F)F)(C)C(N)=N3)=C2

Molecular Formula

C21H19F4N5O2

Molecular Weight

449.40

References & Citations

[1]Neumann U, et al. A novel BACE inhibitor NB-360 shows a superior pharmacological profile and robust reduction of amyloid-β and neuroinflammation in APP transgenic mice. Mol Neurodegener. 2015 Sep 3;10:44.|[2]Neumann U, et al. The β-secretase (BACE) inhibitor NB-360 in preclinical models: From amyloid-β reduction to downstream disease-relevant effects. Br J Pharmacol. 2019 Sep;176 (18) :3435-3446.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Isoform

BACE1; BACE2

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

Loading 3D structure...

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

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GTR19176576-01	NB-360
555240	NB-360 free base
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GDD31890-01	PDdEC-NB
TN6571	Nb-Feruloyltryptamine
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