ChemicalBook > CAS DataBase List > (S)-1-(2-(difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine

(S)-1-(2-(difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine

Product Name: (S)-1-(2-(difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine
CAS No.: 1227163-84-9
Chemical Name: (S)-1-(2-(difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine
Synonyms: CS-2630;(S)-AZD3839;AZD3839 fuMarate;AZD3839 (free base);AZD3839;AZD-3839;AZD 3839;AZD3839 free base, 10 mM in DMSO;(S)-1-(2-(difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine;1H-Isoindol-3-amine, 1-[2-(difluoromethyl)-4-pyridinyl]-4-fluoro-1-[3-(5-pyrimidinyl)phenyl]-, (1S)-;AZD3839 free base,β-Secretase,BACE,AZD-3839 free base,inhibit,AZD 3839,AZD-3839,Beta-secretase,Inhibitor;(S)-1-(2-(difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine AZD3839
CBNumber: CB42995920
Molecular Formula: C24H16F3N5
Formula Weight: 431.41
MOL File: 1227163-84-9.mol

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(S)-1-(2-(difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine Property

Boiling point:: 596.3±60.0 °C(Predicted)
Density: 1.41±0.1 g/cm3(Predicted)
storage temp.: Store at -20°C
solubility: DMSO : 125 mg/mL (289.75 mM; Need ultrasonic)
form: Powder
pka: 2.56±0.40(Predicted)
color: White to off-white

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P330Rinse mouth.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: SML2484
Product name: AZD3839
Purity: ≥98% (HPLC)
Packaging: 5mg
Price: $85.41
Updated: 2025/07/31

Sigma-Aldrich

Product number: SML2484
Product name: AZD3839
Purity: ≥98% (HPLC)
Packaging: 25mg
Price: $360
Updated: 2025/07/31

Cayman Chemical

Product number: 28388
Product name: AZD3839
Packaging: 5mg
Price: $118
Updated: 2024/03/01

Cayman Chemical

Product number: 28388
Product name: AZD3839
Packaging: 25mg
Price: $479
Updated: 2024/03/01

Cayman Chemical

Product number: 28388
Product name: AZD3839
Packaging: 1mg
Price: $44
Updated: 2024/03/01

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(S)-1-(2-(difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine Chemical Properties,Usage,Production

Uses

AZD3839 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 inhibits recombinant human BACE1 with a Ki=26.1 nM. AZD3839 inhibits A40 production in SH-SY5Y cells with an IC50 of 4.8 nM. AZD3839 binds to BACE1 and reduces the Aβ amyloid produced by the cleavage of amyloid precursor protein (APP) by BACE1 and γ-secretase. AZD3839 can be used in the field of Alzheimer's disease research[1][2][3].

Biological Activity

AZD3839 is a potent and selective BACE1 inhibitor (Ki = 26.1 nM/BACE1, 372.4 nM/BACE2, >25 μM/Cathepsin D by cell-free TR-FRET; hERG IC50 = 4.8 μM) th at effectively suppresses cellular BACE1 activity in neuron cultures (sAPPβ release IC50 = 16.7 nM/SH-SY5Y; Aβ40 release IC50 = 4.8 nM/SH-SY5Y AAP695wt, 32.2 nM/N2A, 24.8 nM/guinea pig cortical neurons, 51 nM/murine cortical neurons) and exhibits in vivo Aβ40-, Aβ42-, sAPPβ-reducing efficacy (80 & 160 μmol/kg mouse, p.o.; 100 & 200 μmol/kg guinea pigs, p.o., 2.5 & 20 μmol/kg cynomolgus monkeys, i.v.) with good pharmacokinetic properties and oral availability.

in vivo

In the female C57BL/6 mouse model, the brain concentration of AZD3839 free base (80 μmol/kg, 160 μmol/kg; oral gavage; single dose) increases rapidly and reaches a peak at 0.5 h. The levels of Aβ40, Aβ42 and sAPP in the brain decreased in a dose- and time-dependent manner. The plasma Aβ40 level is also significantly reduced, and the high dose (160 μmol/kg) had a more significant effect and lasted longer^[1].
AZD3839 free base (100 μmol/kg; oral gavage; twice a day; 7 days) inhibits the level and accumulation of Aβ40 in the mouse brain and plasma in the female C57BL/6 mouse model^[1].
AZD3839 free base (100 μmol/kg, 200 μmol/kg; oral gavage; single dose) reduces the levels of Aβ40 and Aβ42 in plasma, brain and cerebrospinal fluid of guinea pigs in a concentration- and time-dependent manner in the male Dunkin-Hartley guinea pig model^[1].
AZD3839 free base (5.5 μmol/kg, 20 μmol/kg; intravenous injection; single dose) significantly reduces the levels of Aβ40, Aβ42 and sAPP in the cerebrospinal fluid of 3-5 year old female cynomolgus monkeys^[1].

Animal Model:	Female C57BL/6 mice (11-14 weeks old)^[1]
Dosage:	80 μmol/kg (35 mg/kg), 160 μmol/kg (69 mg/kg), 100 μmol/kg (43 mg/kg)
Administration:	80 μmol/kg (35 mg/kg), 160 μmol/kg (69 mg/kg) as a single dose; 100 μmol/kg (43 mg/kg) as repeated doses twice daily for 7 days (dissolved in 5% dimethylacetamide and 20% hydroxypropyl-β-cyclodextrin in 0.3 M gluconic acid, pH 3, or 0.3 M gluconic acid, pH 3 alone)
Result:	Treated with a single dose of 80 μmol/kg or 160 μmol/kg, the brain concentration of AZD3839 peaked at 0.5 h after dosing. Brain Aβ40 levels decreased by 30% (80 μmol/kg dose) or 50% (160 μmol/kg dose) versus vehicle at 1.5 h after dose, and returned to baseline after 4.5 h (80 μmol/kg) or 8 h (160 μmol/kg). The levels of brain Aβ42 and sAPP followed the same pattern as Aβ40. Both doses reduced plasma levels of Aβ40 by 60% versus vehicle over a prolonged period. At 8 h after administration, the inhibitory effect started to decline within the low dose group, while maximal efficacy was maintained within the high dose group. When treated with 100 μmol/kg twice daily for 7 days, the effect on brain and plasma Aβ40 was comparable to a single administration, and no drug accumulation was observed.

Animal Model:	Male Dunkin-Hartley guinea pigs (4-9 weeks old)
Dosage:	100 μmol/kg (43 mg/kg), 200 μmol/kg (86 mg/kg)
Administration:	Oral gavage; 100 μmol/kg (43 mg/kg), 200 μmol/kg (86 mg/kg) as a single dose (dissolved in 20% hydroxypropyl-β-cyclodextrin in 0.3 M gluconic acid, pH 3)
Result:	After a single dose of 100 μmol/kg or 200 μmol/kg, brain Aβ40 was reduced up to 8 h after the dose in animals receiving the higher dose (20-60% versus vehicle), while guinea pigs receiving the lower dose demonstrated a reduction at 1.5-4.5 h after dose (20-30% versus vehicle). Reduced CSF Aβ40 levels by 50% at 3 h after 200 μmol/kg dose, and still reduced the levels were by 40% at 8 h after dose, although the reduction failed to reach statistical significance at this later time point.

Animal Model:	Female cynomolgus monkeys (3-5 years old)^[1]
Dosage:	5.5 μmol/kg (2.4 mg/kg), 20 μmol/kg (8.6 mg/kg)
Administration:	Intravenous injection via an implanted cannula in the vena cava at a constant infusion rate of 10 ml/kg/h for 15 min; single dose; dissolved in 0.3 M gluconic acid, pH 3.89
Result:	Despite a large variation in the basal CSF levels of Aβ40, Aβ42, and sAPP, an intravenous infusion of 20 μmol/kg AZD3839 significantly reduced the levels of Aβ40, Aβ42, and sAPP in CSF between 3 and 12 h after dose. The inhibitory effect on sAPP was more pronounced than the effect

IC 50

BACE1

References

[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. DOI:10.1124/jpet.114.215202
[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. DOI:10.1074/jbc.M112.409110
[3] Eketj?ll 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. DOI:10.3233/JAD-150834

(S)-1-(2-(difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine Preparation Products And Raw materials

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1227163-84-9, (S)-1-(2-(difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amineRelated Search:

AZD-5672 AZD0364 CCR1 antagonist AZD-7648 AZD5153 AZD-8055 AZD-0284 AZD-5305 AZD 3759 2-Pyridinecarboxamide, 6-fluoro-5-[4-[(5-fluoro-3,4-dihydro-2-methyl-3-oxo-6-quinoxalinyl)methyl]-1-piperazinyl]-N-methyl- AZD3839 hemifuMarate KGZHRAVDXGQUQM-WCQGTBRESA-N AZD-2858 AZD-0156

(S)-1-(2-(difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine

(S)-AZD3839

(S)-1-(2-(difluoromethyl)pyridin-4-yl)-4-fluoro-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine AZD3839

AZD3839 (free base)

AZD3839 fuMarate

CS-2630

AZD3839;AZD-3839;AZD 3839

1H-Isoindol-3-amine, 1-[2-(difluoromethyl)-4-pyridinyl]-4-fluoro-1-[3-(5-pyrimidinyl)phenyl]-, (1S)-

AZD3839 free base,β-Secretase,BACE,AZD-3839 free base,inhibit,AZD 3839,AZD-3839,Beta-secretase,Inhibitor

AZD3839 free base, 10 mM in DMSO

1227163-84-9