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· · COA & SDS available for every product · Same-day shipping on in-stock items BACE1-IN-1 - ≥99% , CAS No.1310347-50-2
Synonyms
B67UFT75QS | MS-26467 | N-[3-[(4r)-2-Azanylidene-5,5-Bis(Fluoranyl)-4-Methyl-1,3-Oxazinan-4-Yl]-4-Fluoranyl-Phenyl]-5-Cyano-Pyridine-2-Carboxamide | RG7129 | 2-Pyridinecarboxamide, N-(3-((4R)-2-amino-5,5-difluoro-5,6-dihydro-4-methyl-4H-1,3-oxazin-4-yl)-4
Shipped In
Ice chest + Ice pads
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Why this grade ≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview BACE1-IN-1 is a potent and highly brain penetrant BACE1 inhibitor with IC 50 s of 32 and 47 nM for human BACE1 and BACE2 , respectively.
Form:Solid
IC50& Target:IC50: 32 nM (human BACE1), 47 nM (human BACE2)
Specifications Synonyms
B67UFT75QS | MS-26467 | N-[3-[(4r)-2-Azanylidene-5, 5-Bis(Fluoranyl)-4-Methyl-1, 3-Oxazinan-4-Yl]-4-Fluoranyl-Phenyl]-5-Cyano-Pyridine-2-Carboxamide | RG7129 | 2-Pyridinecarboxamide, N-(3-((4R)-2-amino-5, 5-difluoro-5, 6-dihydro-4-methyl-4H-1, 3-oxazin-4-yl)-4
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
BACE1-IN-1 is a potent and highly brain penetrant BACE1 inhibitor with IC 50 s of 32 and 47 nM for human BACE1 and BACE2 , respectively.
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CC1(C(COC(=N1)N)(F)F)C2=C(C=CC(=C2)NC(=O)C3=NC=C(C=C3)C#N)F IUPAC Name N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide InChIKey DVMUZHLUMHPCGZ-QGZVFWFLSA-N INCHI 1S/C18H14F3N5O2/c1-17(18(20,21)9-28-16(23)26-17)12-6-11(3-4-13(12)19)25-15(27)14-5-2-10(7-22)8-24-14/h2-6,8H,9H2,1H3,(H2,23,26)(H,25,27)/t17-/m1/s1 Isomeric SMILES C[C@]1(C(COC(=N1)N)(F)F)C2=C(C=CC(=C2)NC(=O)C3=NC=C(C=C3)C#N)F Alternate CAS 1310347-50-2 PubChem CID 53241828 Molecular Weight 389.33
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Anilides Intermediate Tree Nodes Not available Direct Parent Aromatic anilides Alternative Parents Pyridinecarboxamides 2-heteroaryl carboxamides 3-pyridinecarbonitriles Fluorobenzenes Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Isoureas Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Nitriles Azacyclic compounds Carboximidamides Hydrocarbon derivatives Organic oxides Amines Alkyl fluorides Organofluorides Organooxygen compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Aromatic anilide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - 3-pyridinecarbonitrile - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Pyridine - Heteroaromatic compound - Carboxamide group - Isourea - Secondary carboxylic acid amide - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Cyanide - Amine - Alkyl fluoride - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility DMSO : 85 mg/mL (218.32 mM; Need ultrasonic) Molecular Weight 389.300 g/mol XLogP3 1.700 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 8 Rotatable Bond Count 3 Exact Mass 389.11 Da Monoisotopic Mass 389.11 Da Topological Polar Surface Area 113.000 Ų Heavy Atom Count 28 Formal Charge 0 Complexity 694.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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