PF-06663195 , CAS No.1621585-22-5

CAS: 1621585-22-5 Cat. No.: P1445094 Fórmula: C₁₈H₁₈F₃N₃O₂S Peso molecular: 397.41 Número EC: 109-886-4 PubChem CID: 76955651

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

PF-06663195 is a β-secretase ( BACE1 ) inhibitor, with BACE1 CFA and BACE1 WCA IC 50 values of 53 and 15 nM, respectively. PF-06663195 can be used for Alzheimer's disease research.

Specifications

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Nombres e identificadores

• Sonrisas canónicas: CC1=NOC(=C1)C2CC3C(SC(=NC3(CO2)C4=C(C=C(C=C4)F)F)N)CF
• IUPAC Name: (4S,4aR,6R,8aS)-8a-(2,4-difluorophenyl)-4-(fluoromethyl)-6-(3-methyl-1,2-oxazol-5-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
• InChIKey: JIAYOIBUKDISBO-IYPIGGPWSA-N
• INCHI: 1S/C18H18F3N3O2S/c1-9-4-15(26-24-9)14-6-12-16(7-19)27-17(22)23-18(12,8-25-14)11-3-2-10(20)5-13(11)21/h2-5,12,14,16H,6-8H2,1H3,(H2,22,23)/t12-,14+,16+,18+/m0/s1
• Isómeros SMILES: CC1=NOC(=C1)[C@H]2C[C@H]3[C@H](SC(=N[C@]3(CO2)C4=C(C=C(C=C4)F)F)N)CF
• PubChem CID: 76955651
• Peso molecular: 397.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Oxanes Aryl fluorides 1,3-thiazines Isoxazoles Heteroaromatic compounds Isothioureas Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Carboximidamides Azacyclic compounds Organofluorides Hydrocarbon derivatives Amines Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fluorobenzene - Meta-thiazine - Aryl fluoride - Aryl halide - Oxane - Heteroaromatic compound - Azole - Isoxazole - Isothiourea - Oxacycle - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Amine - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• 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

Preguntas frecuentes

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 1621585-22-5, the molecular formula is C18H18F3N3O2S, and the molecular weight is 397.41 g/mol. InChIKey JIAYOIBUKDISBO-IYPIGGPWSA-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.