FPS-ZM1 - ≥98% , CAS No.945714-67-0

CAS: 945714-67-0 Cat. No.: F275916 Peso molecular: 327.85 Número EC: 986-727-2

GRADE & PURITY ≥98%

Synonyms

4-cloro-N-ciclohexil-N-(fenilmetil)benzamida | 4-cloro-N-ciclohexil-N-(fenilmetil)benzamida

Storage

Protegido de la luz,Almacenar a -20°C,Desecado

Shipped In

Hielera + almohadillas de hielo

Descripción general

Se envía a 4°C. Almacenar a -20°C a largo plazo. Almacenar en la oscuridad. Almacenar en condiciones de desecación.

Specifications

Sinónimos

4-cloro-N-ciclohexil-N-(fenilmetil)benzamida | 4-cloro-N-ciclohexil-N-(fenilmetil)benzamida

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Antagonista de alta afinidad, permeable a la barrera hematoencefálica, no tóxico, del receptor terciario amidaxa0RAGE (Receptor de productos finales de glicación avanzada) (K i = 25 nM). Bloquea la unión de Aβ al dominio V de RAGE.

Condiciones de almacenamiento de almacenamiento

Protegido de la luz, Almacenar a -20°C, Desecado

Enviado en

Hielera + almohadillas de hielo

Nota

Siempre que sea posible, prepare y utilice las soluciones el mismo día. No obstante, si necesita preparar soluciones madre con antelación, le recomendamos que almacene la solución como alícuotas en viales herméticamente cerrados a -20°C. Por lo general, podrán utilizarse durante un mes. Antes de su uso, y antes de abrir el vial, le recomendamos que deje que el producto se equilibre a temperatura ambiente durante al menos 1 hora. ¿Necesita más consejos sobre solubilidad, uso y manipulación? Visite nuestra página de preguntas frecuentes (FAQ) para obtener más información.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504769803
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769803
• Sonrisas canónicas: C1CCC(CC1)N(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl
• IUPAC Name: N-benzyl-4-chloro-N-cyclohexylbenzamide
• InChIKey: XDFKWGIBQMHSOH-UHFFFAOYSA-N
• INCHI: 1S/C20H22ClNO/c21-18-13-11-17(12-14-18)20(23)22(19-9-5-2-6-10-19)15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15H2
• Isómeros SMILES: C1CCC(CC1)N(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl
• Peso molecular: 327.85
• Reaxy-Rn: 23819155
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23819155&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 4-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 4-halobenzoic acids and derivatives
• Alternative Parents: Benzamides Benzoyl derivatives Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the 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

Objetivos asociados (humanos)

AGER Tchem Advanced glycosylation end product-specific receptor (3 Activities)

Discover Target: AGER

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

AGER Tchem Advanced glycosylation end product-specific receptor (291 Activities)

Discover Target: AGER

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO to 198.26 mM and in ethanol to 198.26 mM
• Peso molecular: 327.800 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 327.139 Da
• Monoisotopic Mass: 327.139 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 366.000
• 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

Referencias

1. Jing Li, Rui Hu, Xingning Liu, Lanfen Peng, Jinyu Yi, Xin Zhong, Qi Huang, Jialing Sun, Wenxing Feng, Wenfeng Ma, Xiaozhou Zhou.  (2025)  S100A9/RAGE pathway regulation of mitophagy and the effect of JianPi LiShi YangGan formula in acute-on-chronic liver failure.  JOURNAL OF ETHNOPHARMACOLOGY,      [PMID:40294664] [10.1016/j.jep.2025.119887]