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Prueba documental

Citado en 6 publicaciones revisadas por pares sobre cromatografía, síntesis orgánica y reacciones de acoplamiento cruzado.

Descripción general

la 1,3-Difenil-2-propenona se utilizó en la preparación de sistemas heterocíclicos de interés farmacológico como las pirazolinas y las pirimidinas。

Especificaciones

Sinónimos

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

la 1,3-Difenil-2-propenona (chalcona) inhibe la proliferación de las líneas celulares de cáncer de mama humano, MCF-7 y MDA-MB-231 induciendo la apoptosis y bloqueando la progresión del ciclo celular en la fase G2/M. Es un inhibidor de la ciclina dependie

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

508813730

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508813730

Sonrisas canónicas

C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2

IUPAC Name

(E)-1,3-diphenylprop-2-en-1-one

InChIKey

DQFBYFPFKXHELB-VAWYXSNFSA-N

INCHI

1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+

Isómeros SMILES

C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2

WGK Alemania

RTECS

FL6900000

Peso molecular

208.26

Reaxy-Rn

509985

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=509985&ln=

Documentación

📋 Hoja de datos de seguridad (SDS)

Documento completo sobre peligros, manipulación, almacenamiento y cumplimiento normativo.

<<<<<<< HEAD Descargar SDS → ======= Descargar SDS → >>>>>>> release248-p3

✅ Certificado de análisis (COA)

Datos de calidad específicos del lote. Introduzca su número de lote para obtener el COA exacto.

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📊 Ficha técnica

Resumen de referencia rápida de las especificaciones y aplicaciones del producto.

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🔬 Hoja de especificaciones

Atributos de calidad completos y criterios de aceptación para esta calidad.

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Datos avanzados

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Clase Linear 1,3-diarylpropanoids
    - Subclass Chalcones and dihydrochalcones

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Clase	Linear 1,3-diarylpropanoids
Subclass	Chalcones and dihydrochalcones
Intermediate Tree Nodes	Not available
Direct Parent	Retrochalcones
Alternative Parents	Styrenes Benzoyl derivatives Aryl ketones Enones Acryloyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Retrochalcone - Aryl ketone - Styrene - Benzoyl - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors	chalcone
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

Estructura 3D

Objetivos asociados (humanos)

MAOB Tclin Amine oxidase [flavin-containing] B (1 Activities)

Discover Target: MAOB

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

DHFR Tclin Dihydrofolate reductase (3072 Activities)

Discover Target: DHFR

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

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

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

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

Discover Target: PTGS1

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

MAOB Tclin Monoamine oxidase B (8835 Activities)

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

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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

XDH Tclin Xanthine dehydrogenase (1038 Activities)

Discover Target: XDH

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

TXNRD1 Tclin Thioredoxin reductase 1 (99 Activities)

Discover Target: TXNRD1

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

BCHE Tclin Butyrylcholinesterase (7174 Activities)

Discover Target: BCHE

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

AMY2A Tclin Pancreatic alpha-amylase (74 Activities)

Discover Target: AMY2A

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

TNFRSF1A Tchem Tumor necrosis factor receptor R1 (157 Activities)

Discover Target: TNFRSF1A

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

KCNMA1 Tclin Calcium-activated potassium channel subunit alpha-1 (435 Activities)

Discover Target: KCNMA1

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

Homo sapiens (32628 Activities)

Lot Number	Certificate Type	Fecha	Articulo
K2222542	Certificate of Analysis	Sep 03, 2026	C153805
H2607293	Certificate of Analysis	Jul 24, 2026	C153805
H2607303	Certificate of Analysis	Jul 24, 2026	C153805
H2607305	Certificate of Analysis	Jul 24, 2026	C153805
A2623232	Certificate of Analysis	Jan 13, 2026	C153805
A2623233	Certificate of Analysis	Jan 13, 2026	C153805
A2623231	Certificate of Analysis	Jan 13, 2026	C153805
F2510554	Certificate of Analysis	May 29, 2025	C153805
F2510563	Certificate of Analysis	May 29, 2025	C153805
F2510565	Certificate of Analysis	May 29, 2025	C153805
F2129225	Certificate of Analysis	Apr 03, 2025	C153805
L2409055	Certificate of Analysis	Nov 30, 2024	C153805
L2409054	Certificate of Analysis	Nov 30, 2024	C153805
L2409053	Certificate of Analysis	Nov 30, 2024	C153805
L2402175	Certificate of Analysis	Nov 19, 2024	C153805
L2402177	Certificate of Analysis	Nov 19, 2024	C153805
J2415375	Certificate of Analysis	Jul 15, 2024	C153805
L2322276	Certificate of Analysis	Dec 13, 2023	C153805
L2322300	Certificate of Analysis	Dec 13, 2023	C153805
L2322301	Certificate of Analysis	Dec 13, 2023	C153805
L2322302	Certificate of Analysis	Dec 13, 2023	C153805
L2322303	Certificate of Analysis	Dec 13, 2023	C153805
G2326409	Certificate of Analysis	Jul 05, 2023	C153805
G2326394	Certificate of Analysis	Jul 05, 2023	C153805
G2326393	Certificate of Analysis	Jul 05, 2023	C153805
K2222541	Certificate of Analysis	Nov 04, 2022	C153805

Solubilidad	dioxane: soluble 1 g/10 mL, clear, colorless
Punto de inflamación (°F)	235.4 °F
Punto de inflamación (°C)	113 °C
Punto de ebullición (°C)	348 °C
Punto de fusión (°C)	55-59℃
Peso molecular	208.250 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	208.089 Da
Monoisotopic Mass	208.089 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	242.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

Chalcone - ≥98% , CAS No.94-41-7

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