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· · COA & SDS available for every product · Same-day shipping on in-stock items LY3202626 - Moligand™ , Inhibitor of beta-secretase 1, CAS No.L611651, Inhibitor of beta-secretase 1
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. Synonyms
2-Pyrazinecarboxamide, N-[3-[(4aR,7aS)-2-amino-6-(5-fluoro-2-pyrimidinyl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl]-5-methoxy- | US9999624, Compound 4 | UNII-1L8QUK35RX | compound 22 [PMID: 34081466] | BDBM400979 | 1L8QUK35R
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Why this grade Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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.
Specifications Synonyms
2-Pyrazinecarboxamide, N-[3-[(4aR, 7aS)-2-amino-6-(5-fluoro-2-pyrimidinyl)-4a, 5, 6, 7-tetrahydropyrrolo[3, 4-d][1, 3]thiazin-7a(4H)-yl]-4-fluorophenyl]-5-methoxy- | US9999624, Compound 4 | UNII-1L8QUK35RX | compound 22 [PMID: 34081466] | BDBM400979 | 1L8QUK35R
Specifications & Purity
Moligand™
Mechanism of action
Inhibitor of beta-secretase 1
Names and Identifiers Canonical Smiles COc1c[n]c(c[n]1)C(=O)Nc1ccc(c(c1)[C@]12N=C(N)SC[C@@H]2CN(C1)c1[n]cc(c[n]1)F)F InChIKey VQSRKMNBWMHJKY-YTEVENLXSA-N INCHI 1S/C22H20F2N8O2S/c1-34-18-8-26-17(7-27-18)19(33)30-14-2-3-16(24)15(4-14)22-11-32(21-28-5-13(23)6-29-21)9-12(22)10-35-20(25)31-22/h2-8,12H,9-11H2,1H3,(H2,25,31)(H,30,33)/t12-,22-/m0/s1 Isomeric SMILES COC1=NC=C(N=C1)C(=O)NC2=CC(=C(C=C2)F)[C@]34CN(C[C@H]3CSC(=N4)N)C5=NC=C(C=N5)F PubChem CID 78210254
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 Phenylpyrrolidines Pyrazinecarboxamides 2-heteroaryl carboxamides Methoxypyrazines Dialkylarylamines Alkyl aryl ethers Aminopyrimidines and derivatives Halopyrimidines Fluorobenzenes 1,3-thiazines Aryl fluorides Pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Isothioureas Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Hydrocarbon derivatives Organofluorides Organic oxides Molecular Framework Aromatic heteropolycyclic compounds Substituents Aromatic anilide - 3-phenylpyrrolidine - Pyrazine carboxylic acid or derivatives - Pyrazinecarboxamide - 2-heteroaryl carboxamide - Methoxypyrazine - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - Fluorobenzene - Halobenzene - Halopyrimidine - Meta-thiazine - Aryl halide - Pyrimidine - Pyrazine - Aryl fluoride - Pyrrolidine - Pyrrole - Heteroaromatic compound - Isothiourea - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Carboximidamide - Ether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic 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 Molecular Weight 498.500 g/mol XLogP3 1.300 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 11 Rotatable Bond Count 5 Exact Mass 498.14 Da Monoisotopic Mass 498.14 Da Topological Polar Surface Area 157.000 Ų Heavy Atom Count 35 Formal Charge 0 Complexity 803.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 2 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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