Products for Research Use Only
RegisterLogin

AZ3971

CAT: 0931-T71098-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T71098-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1260248-03-0
Target
Others
Related Pathways
Others
Bioactivity
AZ3971 is a potent BACE1 inhibitor. AZ3971 blocks BACE1-mediated cleavage of APP and inhibits Aβ42 production HEK cells overexpressing the APP protein which carries the Swedish mutation (HEK.APPswe) .
Smiles
NC1=N[C@](C=2C1=NC=CN2)(C3=CC(C)=C(OC)C(C)=C3)C4=CC(=CC=C4)C=5C=NC=NC5
Molecular Formula
C25H22N6O
Molecular Weight
422.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

AZ3971
CAS Number1260248-03-0
PubChem CID49858172
IUPAC Name(5S)-5-(4-methoxy-3,5-dimethylphenyl)-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyrazin-7-amine
Molecular FormulaC25H22N6O
Molecular Weight422.5
XLogP2.5
Topological Polar Surface Area99.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity669
SMILES
CC1=CC(=CC(=C1OC)C)[C@]2(C3=NC=CN=C3C(=N2)N)C4=CC=CC(=C4)C5=CN=CN=C5
InChI
InChI=1S/C25H22N6O/c1-15-9-20(10-16(2)22(15)32-3)25(23-21(24(26)31-25)29-7-8-30-23)19-6-4-5-17(11-19)18-12-27-14-28-13-18/h4-14H,1-3H3,(H2,26,31)/t25-/m0/s1
InChIKey
BICGYFRWDDPYEI-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of AZ3971
CAS: 1260248-03-0
CID: 49858172
Formula: C25H22N6O
MW: 422.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.5
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass422.18550935
Monoisotopic Mass422.18550935
Topological Polar Surface Area99.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity669
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T23764-01AZ3976
T62511-01AZ3391
TQ0012-01AZ3451
T19671-01AZ31

Alternative Products

CatalogName
MBS5813637AZ3971

Popular Products