PF-06684511 - Moligand™ , Inhibitor of beta-secretase 1, CAS No.P612741, Inhibitor of beta-secretase 1

CAS: P612741 Cat. No.: P612741 PubChem CID: 59053926

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

INHIBITOR

Meccanismo d'azione

Inhibitor of beta-secretase 1

Nomi e identificatori

• Sorrisi canonici: FC[C@H]1OC[C@]2([C@@H]1CSC(=N2)N)c1cc(ccc1F)NC(=O)c1cnc(cn1)OC
• IUPAC Name: N-[3-[(4aS,5S,7aS)-2-amino-5-(fluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
• InChIKey: YZXTXNWZTAVDKH-KPAZRMRSSA-N
• INCHI: 1S/C19H19F2N5O3S/c1-28-16-7-23-14(6-24-16)17(27)25-10-2-3-13(21)11(4-10)19-9-29-15(5-20)12(19)8-30-18(22)26-19/h2-4,6-7,12,15H,5,8-9H2,1H3,(H2,22,26)(H,25,27)/t12-,15-,19-/m1/s1
• Isomeri SMILES: COC1=NC=C(N=C1)C(=O)NC2=CC(=C(C=C2)F)[C@]34CO[C@@H]([C@H]3CSC(=N4)N)CF
• PubChem CID: 59053926

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Pyrazinecarboxamides 2-heteroaryl carboxamides Methoxypyrazines Alkyl aryl ethers Fluorobenzenes 1,3-thiazines Aryl fluorides Oxolanes Heteroaromatic compounds Secondary carboxylic acid amides Isothioureas Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Carboximidamides Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organofluorides Amines Alkyl fluorides Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aromatic anilide - Pyrazine carboxylic acid or derivatives - Pyrazinecarboxamide - 2-heteroaryl carboxamide - Methoxypyrazine - Alkyl aryl ether - Halobenzene - Fluorobenzene - Meta-thiazine - Aryl fluoride - Pyrazine - Aryl halide - Oxolane - Heteroaromatic compound - Secondary carboxylic acid amide - Isothiourea - Carboxamide group - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: 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.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

BACE1 Tchem Beta-secretase 1 (1 Activities)

Discover Target: BACE1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Domande frequenti

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is P612741. InChIKey YZXTXNWZTAVDKH-KPAZRMRSSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.