NPD8733 - ≥98% , CAS No.696655-62-6

CAS: 696655-62-6 Cat. No.: N413108 Fórmula: C₁₈H₁₅NO₄ Peso molecular: 309.32

CALIDAD & PUREZA ≥98%

Synonyms

N-[2-(4-Methoxybenzoyl)-3-benzofuranyl]acetamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

NPD8733 NPD8733 is an inhibitor of cancer cell-enhanced fibroblast migration that specifically binds to valosin-containing protein (VCP)/p97 , a member of the ATPase-associated with diverse cellular activities (AAA+) protein family.

Targets

p97

Especificaciones

Sinónimos

N-[2-(4-Methoxybenzoyl)-3-benzofuranyl]acetamide

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

NPD8733 is an inhibitor of cancer cell-enhanced fibroblast migration that specifically binds to valosin-containing protein (VCP)/p97, a member of the ATPase-associated with diverse cellular activities (AAA+) protein family.

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.

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504760313

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760313

Sonrisas canónicas

CC(=O)NC1=C(OC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)OC

IUPAC Name

N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]acetamide

InChIKey

NQZBUYPGHZTWIR-UHFFFAOYSA-N

INCHI

1S/C18H15NO4/c1-11(20)19-16-14-5-3-4-6-15(14)23-18(16)17(21)12-7-9-13(22-2)10-8-12/h3-10H,1-2H3,(H,19,20)

Isómeros SMILES

CC(=O)NC1=C(OC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)OC

Peso molecular

309.32

Reaxy-Rn

34320598

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34320598&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Aryl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Aryl-phenylketones
• Alternative Parents: Benzofurans N-acetylarylamines Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Acetamides Heteroaromatic compounds Furans Vinylogous amides Secondary carboxylic acid amides Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aryl-phenylketone - N-acetylarylamine - Benzofuran - Phenoxy compound - Anisole - Phenol ether - N-arylamide - Benzoyl - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Furan - Heteroaromatic compound - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl 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

Objetivos asociados (humanos)

SMPD1 Tchem Sphingomyelin phosphodiesterase (13561 Activities)

Discover Target: SMPD1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HepG2 (196354 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

VCP Tchem Transitional endoplasmic reticulum ATPase (895 Activities)

Discover Target: VCP

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NS1 Nonstructural protein 1 (33327 Activities)

Discover Target: NS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 31 mg/mL (100.21 mM); Water: Insoluble; Ethanol: Insoluble
• Peso molecular: 309.300 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 309.1 Da
• Monoisotopic Mass: 309.1 Da
• Topological Polar Surface Area: 68.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 444.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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