BACE-1 inhibitor 1

CAT: 0931-T10449-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T10449-01Size:25 mg

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

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CAS Number

1262858-14-9

Target

Others, Beta-Secretase

Related Pathways

Neuroscience, Others

Bioactivity

BACE-1 inhibitor 1 (Compound 8a) is a potent BACE-1 inhibitor with an IC50 of 56 nM.

Smiles

C(F)(F)[C@@]1(N=C(N)COC1)C2=CC(NC(=O)C3=CC=C(Br)C=N3)=CC=C2F

Molecular Formula

C17H14BrF3N4O2

Molecular Weight

443.22

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

BACE-1 inhibitor 1

CAS Number	1262858-14-9
PubChem CID	56645128
IUPAC Name	N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-bromopyridine-2-carboxamide
Molecular Formula	C17H14BrF3N4O2
Molecular Weight	443.2
XLogP	2
Topological Polar Surface Area	89.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	582

SMILES

C1C(=N[C@@](CO1)(C2=C(C=CC(=C2)NC(=O)C3=NC=C(C=C3)Br)F)C(F)F)N

InChI

InChI=1S/C17H14BrF3N4O2/c18-9-1-4-13(23-6-9)15(26)24-10-2-3-12(19)11(5-10)17(16(20)21)8-27-7-14(22)25-17/h1-6,16H,7-8H2,(H2,22,25)(H,24,26)/t17-/m0/s1

InChIKey

WLOOOUPMVOAGDW-KRWDZBQOSA-N

Chemical Structure

2D Structure

CAS: 1262858-14-9

CID: 56645128

Formula: C17H14BrF3N4O2

MW: 443.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	443.2
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	442.02522
Monoisotopic Mass	442.02522
Topological Polar Surface Area	89.6 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	582
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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Catalog	Name
T62995-01	BACE-1 inhibitor 2
T62181-01	BACE-IN-1
T3161L-01	BACE-IN-1 acetate
T61206-01	AChE/BChE/BACE-1-IN-1
T60691-01	AChE/BChE/BACE-1-IN-2
T36290-01	HIF-1 inhibitor-1
T71661-01	HIF-1α inhibitor-1
T22081-01	FBPase-1 inhibitor-1
T28089-01	MPGES-1 Inhibitor-1
T67928-01	NDH-1 inhibitor-1

Alternative Products

Catalog	Name
RM-B032000-01	Bace-1 Inhibitor
MBS5766120	BACE-1 inhibitor 1
CP7219-5mg	BACE Inhibitor
MBS5805671	BACE-1 Inhibitor 2
A19560-1	BACE-1 inhibitor 1 1mg
A19560-10	BACE-1 inhibitor 1 10mg
A19560-100	BACE-1 inhibitor 1 100mg
A19560-50	BACE-1 inhibitor 1 50mg
A19560-25	BACE-1 inhibitor 1 25mg
A19560-5	BACE-1 inhibitor 1 5mg

BACE-1 inhibitor 1

Chemical Information

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