Products for Research Use Only
RegisterLogin

AZD3839 (fumarate)

CAT: 0804-HY-13438ASize: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-13438ASize:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
AZD3839 (fumarate) is an orally available, selective, reversible inhibitor of the β-site amyloid precursor protein cleaving enzyme BACE1 that can cross the blood-brain barrier. AZD3839 (fumarate) inhibits recombinant human BACE1 with a Ki=26.1 nM. AZD3839 (fumarate) inhibits A40 production in SH-SY5Y cells with an IC50 of 4.8 nM. AZD3839 (fumarate) binds to BACE1 and reduces the Aβ amyloid produced by the cleavage of amyloid precursor protein (APP) by BACE1 and γ-secretase. AZD3839 (fumarate) can be used in the field of Alzheimer's disease research[1][2][3].
CAS Number
1421852-78-9
UNSPSC
12352100
Target
Beta-secretase
Related Pathways
Neuronal Signaling
Field of Research
Cancer
Smiles
FC1=C2C([C@](C3=CC=CC(C4=CN=CN=C4)=C3)(C5=CC(C(F)F)=NC=C5)N=C2N)=CC=C1.O=C(O)/C=C/C(O)=O.[1/2]
Molecular Formula
C28H20F3N5O4
Molecular Weight
547.48
References & Citations
[1]Sparve E et al. Prediction and modeling of effects on the QTc interval for clinical safety margin assessment, based on single-ascending-dose study data with AZD3839. J Pharmacol Exp Ther. 2014 Aug;350 (2) :469-78. |[2]Jeppsson F et al. Discovery of AZD3839, a potent and selective BACE1 inhibitor clinical candidate for the treatment of Alzheimer disease. J Biol Chem. 2012 Nov 30;287 (49) :41245-57. |[3]Eketjäll S, et al. AZD3293: A Novel, Orally Active BACE1 Inhibitor with High Potency and Permeability and Markedly Slow Off-Rate Kinetics. J Alzheimers Dis. 2016;50 (4) :1109-23.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(S)-1-(2-(Difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine hemifumarate
CAS Number1421852-78-9
PubChem CID118753440
IUPAC Name(E)-but-2-enedioic acid;(3S)-3-[2-(difluoromethyl)-4-pyridinyl]-7-fluoro-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
Molecular FormulaC28H20F3N5O4
Molecular Weight547.5
Topological Polar Surface Area152
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count40
Formal Charge0
Complexity804
SMILES
C1=CC(=CC(=C1)[C@@]2(C3=C(C(=CC=C3)F)C(=N2)N)C4=CC(=NC=C4)C(F)F)C5=CN=CN=C5.C(=C/C(=O)O)\C(=O)O
InChI
InChI=1S/C24H16F3N5.C4H4O4/c25-19-6-2-5-18-21(19)23(28)32-24(18,17-7-8-31-20(10-17)22(26)27)16-4-1-3-14(9-16)15-11-29-13-30-12-15;5-3(6)1-2-4(7)8/h1-13,22H,(H2,28,32);1-2H,(H,5,6)(H,7,8)/b;2-1+/t24-;/m0./s1
InChIKey
PFELQGNXJDRKDW-DSSYAJFBSA-N
Chemical Structure
2D Structure
2D structure of (S)-1-(2-(Difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine hemifumarate
CAS: 1421852-78-9
CID: 118753440
Formula: C28H20F3N5O4
MW: 547.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight547.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass547.14673862
Monoisotopic Mass547.14673862
Topological Polar Surface Area152 Ų
Heavy Atom Count40
Formal Charge0
Complexity804
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-103268-01(Rac) -AZD3839
HY-13438-01AZD3839 (free base)
HY-B1562CBopindolol (fumarate)
HY-131350ALXE408 (fumarate)
HY-136842Oxetorone (fumarate)
HY-129305Tampramine (fumarate)
HY-112280A-01Crozbaciclib (fumarate)
HY-143216A-01Ensitrelvir (fumarate)
HY-17013A-01Dofequidar (fumarate)
HY-106018AMitemcinal (fumarate)

Alternative Products

CatalogName
B3224-5AZD3839
A12825-50AZD3839 50mg
A12825-10AZD3839 10mg
A12825-25AZD3839 25mg
A12825-5AZD3839 5mg
T6772-01AZD3839 free base

Popular Products