AZD3839 - 98%, high purity , CAS No.1227163-84-9, Inhibitor of beta-secretase 1

Item Number
A275977
Grouped product items
SKUSizeAvailabilityPrice Qty
A275977-1mg
1mg
In stock
$33.90
A275977-5mg
5mg
In stock
$140.90
A275977-10mg
10mg
In stock
$216.90
A275977-25mg
25mg
In stock
$434.90
A275977-50mg
50mg
In stock
$761.90

bioavailable BACE-1 inhibitor

Basic Description

SynonymsCS-5933 | AZD 3839 | AZD 3839 [WHO-DD] | AZD3839 | AZD-3839 | 1H-Isoindol-3-amine, 1-(2-(difluoromethyl)-4-pyridinyl)-4-fluoro-1-(3-(5-pyrimidinyl)phenyl)-, (1S)- | BDBM50398264 | I8ID590133 | HY-13438 | BS-15015 | SCHEMBL1358337 | UNII-I8ID590133 | (1S)-
Specifications & PurityMoligand™, ≥98%
Biochemical and Physiological MechanismsPotent and selective\xa0BACE-1\xa0inhibitor (K i = 26.1 nM), about 14-fold selectivity over BACE-2 (K i = 372 nM). Decreases Aβ40 levels (IC 50 = 4.8 nM) and decreases formation of sAPPβ (IC 50 = 16.7 nM).
Storage TempStore at -20°C
Shipped InIce chest + Ice pads
GradeMoligand™
Action TypeINHIBITOR
Mechanism of actionInhibitor of beta-secretase 1
NoteWherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description

Shipped at 4°C. Store at -20°C.

Associated Targets(Human)

BACE1 Tchem Beta-secretase 1 (5 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
BACE2 Tchem Beta-secretase 2 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BACE2 Tchem Beta secretase 2 (1716 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BACE1 Tchem Beta-secretase 1 (15641 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Brain (1 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Names and Identifiers

Pubchem Sid488201265
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488201265
IUPAC Name (3S)-3-[2-(difluoromethyl)pyridin-4-yl]-7-fluoro-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
INCHI InChI=1S/C24H16F3N5/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/h1-13,22H,(H2,28,32)/t24-/m0/s1
InChi Key MRXBCEQZNKUUIP-DEOSSOPVSA-N
Canonical SMILES C1=CC(=CC(=C1)C2(C3=C(C(=CC=C3)F)C(=N2)N)C4=CC(=NC=C4)C(F)F)C5=CN=CN=C5
Isomeric 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
PubChem CID 46202416
Molecular Weight 431.4

Certificates

Certificate of Analysis(COA)

Enter Lot Number to search for COA:

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10 results found

Lot NumberCertificate TypeDateItem
E2309188Certificate of AnalysisFeb 05, 2024 A275977
E2309200Certificate of AnalysisFeb 05, 2024 A275977
E2309206Certificate of AnalysisFeb 05, 2024 A275977
E2309244Certificate of AnalysisFeb 05, 2024 A275977
E2309238Certificate of AnalysisJan 31, 2024 A275977
E2309245Certificate of AnalysisJan 31, 2024 A275977
E2309249Certificate of AnalysisJan 31, 2024 A275977
E2309251Certificate of AnalysisJan 31, 2024 A275977
E2309254Certificate of AnalysisJan 31, 2024 A275977
E2309243Certificate of AnalysisMar 15, 2023 A275977

Chemical and Physical Properties

SolubilitySoluble in DMSO and ethanol < 200\xa0mM

Safety and Hazards(GHS)

Pictogram(s) GHS07
Signal Warning
Hazard Statements

H302:Harmful if swallowed

Precautionary Statements

P501:Dispose of contents/container to ...

P264:Wash hands [and …] thoroughly after handling.

P270:Do not eat, drink or smoke when using this product.

P330:Rinse mouth.

P301+P317:IF SWALLOWED: Get medical help.

Related Documents

References

1. Jeppsson F, Eketjäll S, Janson J, Karlström S, Gustavsson S, Olsson LL, Radesäter AC, Ploeger B, Cebers G, Kolmodin K et al..  (2012)  Discovery of AZD3839, a potent and selective BACE1 inhibitor clinical candidate for the treatment of Alzheimer disease..  J Biol Chem,  287  (49): (41245-57).  [PMID:23048024] [10.1021/op500134e]

Solution Calculators