LY2886721 - Moligand™, ≥99% , Inhibitor of beta-secretase 1, CAS No.1262036-50-9, Inhibitor of beta-secretase 1

CAS: 1262036-50-9 Cat. No.: L125253 Fórmula: C18H16F2N4O2S Peso molecular: 390.41
Disponível para encomenda
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. ≥99%
Synonyms
AS-56127 | MFCD22124078 | AC-33097 | (benzyloxycarbonyl)-glycine | BCP02507 | N-{3-[(4as,7as)-2-Amino-4a,5-Dihydro-4h-Furo[3,4-D][1,3]thiazin-7a(7h)-Yl]-4-Fluorophenyl}-5-Fluoropyridine-2-Carboxamide | J-522974 | N-[3-[(4aS,7aS)-2-amino-4,4a,5,7-tetrahydr
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Alemanha (EU)
USA*
Price
Qty
1mg
L125253-1mg
Sob encomenda · 8–12 semanas
40,70€
5mg
L125253-5mg
—
3 Em stock
124,87€
10mg
L125253-10mg
—
3 Em stock
212,51€
50mg
L125253-50mg
—
2 Em stock
832,94€
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

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.

Visão geral

LY2886721 is an BACE inhibitor used for the treatment of Alzheimer's Disease. Phase 1/2.

Specifications

Sinónimos
AS-56127 | MFCD22124078 | AC-33097 | (benzyloxycarbonyl)-glycine | BCP02507 | N-{3-[(4as,7as)-2-Amino-4a,5-Dihydro-4h-Furo[3,4-D][1,3]thiazin-7a(7h)-Yl]-4-Fluorophenyl}-5-Fluoropyridine-2-Carboxamide | J-522974 | N-[3-[(4aS,7aS)-2-amino-4,4a,5,7-tetrahydr
Especificações e pureza
Moligand™, ≥99%
Mecanismos bioquímicos e fisiológicos
Potent and selective BACE-1 inhibitor (IC 50 = 20.3 nM for recombinant hBACE-1). Human BACE2 is inhibited with an IC 50 of 10.2 nM. Does not inhibit other aspartyl proteases such as cathepsin D, pepsin, and renin. A potential agent to treat Alzheimer’s Di
Condições de armazenamento de armazenamento
Store at -20°C
Enviado em
Ice chest + Ice pads
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Grau
Moligand™
Tipo de ação
INHIBITOR
Mecanismo de ação
Inhibitor of beta-secretase 1
Pureza
≥99%
Nomes e identificadores
Pubchem Sid528765348
Sorrisos canónicosC1C2CSC(=NC2(CO1)C3=C(C=CC(=C3)NC(=O)C4=NC=C(C=C4)F)F)N
IUPAC NameN-[3-[(4aS,7aS)-2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
InChIKeyNIDRNVHMMDAAIK-YPMLDQLKSA-N
INCHI1S/C18H16F2N4O2S/c19-11-1-4-15(22-6-11)16(25)23-12-2-3-14(20)13(5-12)18-9-26-7-10(18)8-27-17(21)24-18/h1-6,10H,7-9H2,(H2,21,24)(H,23,25)/t10-,18-/m0/s1
SMILES isoméricas C1[C@H]2CSC(=N[C@]2(CO1)C3=C(C=CC(=C3)NC(=O)C4=NC=C(C=C4)F)F)N
Peso molecular 390.41
Reaxy-Rn 25251199
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25251199&ln=

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

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassAnilides
Intermediate Tree Nodes Not available
Direct ParentAromatic anilides
Alternative Parents Pyridinecarboxamides  2-heteroaryl carboxamides  Fluorobenzenes  1,3-thiazines  Aryl fluorides  Oxolanes  Heteroaromatic compounds  Secondary carboxylic acid amides  Isothioureas  Propargyl-type 1,3-dipolar organic compounds  Oxacyclic compounds  Azacyclic compounds  Carboximidamides  Dialkyl ethers  Organofluorides  Amines  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Aromatic anilide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Fluorobenzene - Halobenzene - Meta-thiazine - Aryl fluoride - Aryl halide - Pyridine - Heteroaromatic compound - Oxolane - Carboxamide group - Isothiourea - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
DescriçãoThis 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
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
BACE1 Tchem Beta-secretase 1 (5 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
BACE2 Tchem Beta-secretase 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CTSD Tchem Cathepsin D (3201 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BACE2 Tchem Beta secretase 2 (1716 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BACE1 Tchem Beta-secretase 1 (15641 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
Abcb1b P-glycoprotein 1 (174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot NumberCertificate TypeDataItem
J1520103Certificate of AnalysisFeb 08, 2025 L125253
Propriedades químicas e físicas
SolubilidadeDMSO 9 mg/mL (23.05 mM); Water <1 mg/mL (<1 mM); Ethanol <1 mg/mL (<1 mM)
Peso molecular390.400 g/mol
XLogP31.500
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass390.096 Da
Monoisotopic Mass390.096 Da
Topological Polar Surface Area115.000 Ų
Heavy Atom Count27
Formal Charge0
Complexity610.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

Avaliações dos Clientes

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