Description

Atabecestat (CAS No. 1200493-78-2) is a high-purity small molecule inhibitor with the molecular formula C₁₈H₁₄FN₅OS. This compound, also known by its IUPAC name N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide, is a selective beta-secretase (BACE1) inhibitor extensively studied for its potential therapeutic applications in neurodegenerative disorders. Atabecestat is supplied as a lyophilized powder with ≥98% purity (HPLC) and is rigorously characterized by ¹H NMR, LC-MS, and elemental analysis to ensure batch-to-batch consistency. The product is packaged under inert gas in amber glass vials to ensure long-term stability and is suitable for in vitro and in vivo research applications. Store at -20°C under nitrogen atmosphere for optimal stability.

Properties

• CAS Number: 1200493-78-2
• Complexity: 659
• IUPAC Name: N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluoro-phenyl]-5-cyano-pyridine-2-carboxamide
• InChI: InChI=1S/C18H14FN5OS/c1-18(6-7-26-17(21)24-18)13-8-12(3-4-14(13)19)23-16(25)15-5-2-11(9-20)10-22-15/h2-8,10H,1H3,(H2,21,24)(H,23,25)/t18-/m0/s1
• InChI Key: VLLFGVHGKLDDLW-SFHVURJKSA-N
• Exact Mass: 367.09030942
• Molecular Formula: C18H14FN5OS
• Molecular Weight: 367.4
• SMILES: C[C@]1(C=CSC(=N1)N)C2=C(C=CC(=C2)NC(=O)C3=NC=C(C=C3)C#N)F
• Topological: 129
• Monoisotopic Mass: 367.09030942
• Synonyms: Atabecestat, 1200493-78-2, JNJ-54861911, Atabecestat [INN], Atabecestat [USAN], JNJ-54861911-AAA, RSC-385896, 2834W8D6GK, Atabecestat [USAN:INN], N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide, 2-pyridinecarboxamide, N-(3-((4S)-2-amino-4-methyl-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-cyano-, N-(3-((4S)-2-Amino-4-methyl-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-cyano-2-pyridinecarboxamide, atabecestatum, 2-Pyridinecarboxamide, N-[3-[(4S)-2-amino-4-methyl-4H-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyano-, N-(3-((4S)-2-amino-4-methyl-1,3-thiazin-4-yl)-4-fluorophenyl)-5-cyanopyridine-2-carboxamide, N-(3-((4S)-2-AMINO-4-METHYL-4H-1,3-THIAZIN-4-YL)-4-FLUOROPHENYL)-5-CYANOPYRIDINE-2-CARBOXAMIDE, N-{3-[(4S)-2-amino-4-methyl-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, 807-396-1, (S)-N-(3-(2-amino-4-methyl-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-cyanopicolinamide, N-[3-[(4S)-2-azanyl-4-methyl-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide, Atabecestat (USAN/INN), UNII-2834W8D6GK, GTPL9963, CHEMBL3916243, SCHEMBL12359105, BDBM210070, EX-A6458, AKOS040741175, DB15307, RSC- 385896, DA-61284, MS-25881, HY-109052, CS-0031557, D11456, G16264, US9270353, 17, h3C, N-(3-((4S)-2-AMINO-4-METHYL-4H-1,3-THIAZIN-4-YL)-4-FLUOROPHENYL)-5- CYANOPYRIDINE-2-CARBOXAMIDE

Application

Atabecestat is a potent and selective beta-secretase (BACE1) inhibitor developed for Alzheimer’s disease research. It demonstrates high blood-brain barrier permeability in preclinical models, making it valuable for studying amyloid-beta plaque reduction. The compound has been investigated in clinical trials for its potential to slow cognitive decline by inhibiting Aβ peptide production.

Safety and Hazards

GHS Hazard Statements

• H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
• H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

Precautionary Statements

• P203, P260, P280, P318, P319, P405, and P501

Hazard Classes and Categories

• Repr. 2 (100%)
• STOT RE 2 (100%)

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