PKUMDL WQ 2201 - ≥98%(HPLC) , CAS No.592474-91-4

CAS: 592474-91-4 Cat. No.: P287442 Peso molecular: 351.81 PubChem CID: 6875399

GRADE & PURITY ≥98%(HPLC)

Synonyms

2-Chloro-4-[5-[[2-[(ethylamino)thioxomethyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

2-Chloro-4-[5-[[2-[(ethylamino)thioxomethyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Negative allosteric modulator of phosphoglycerate dehydrogenase (PHGDH) (IC50= 35.7 μM). Displays dose-dependent suppression of cell viability in a range of cancer cell lines. Inhibits tumor growth in a xenograft mouse model.

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

Pureza

≥98%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: CCNC(=S)NN=CC1=CC=C(O1)C2=CC(=C(C=C2)C(=O)O)Cl
• IUPAC Name: 2-chloro-4-[5-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid
• InChIKey: XPACBFAEZIPDRT-QGMBQPNBSA-N
• INCHI: 1S/C15H14ClN3O3S/c1-2-17-15(23)19-18-8-10-4-6-13(22-10)9-3-5-11(14(20)21)12(16)7-9/h3-8H,2H2,1H3,(H,20,21)(H2,17,19,23)/b18-8+
• Isómeros SMILES: CCNC(=S)N/N=C/C1=CC=C(O1)C2=CC(=C(C=C2)C(=O)O)Cl
• PubChem CID: 6875399
• Peso molecular: 351.81

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 Halobenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: Halobenzoic acids
• Alternative Parents: 2-halobenzoic acids Benzoic acids 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Chlorobenzenes Thiosemicarbazones Aryl chlorides Vinylogous halides Furans Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organochlorides Organooxygen compounds Organopnictogen compounds Organosulfur compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Halobenzoic acid - 2-halobenzoic acid - 2-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - 1-carboxy-2-haloaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Thiosemicarbazone - Heteroaromatic compound - Furan - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on 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)

DLD-1 (17511 Activities)

Explore this target

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

MCF-10A (2462 Activities)

Explore this target

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

MCF7 (126967 Activities)

Explore this target

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

MDA-MB-468 (9477 Activities)

Explore this target

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

ZR-75-1 (953 Activities)

Explore this target

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

MDA-MB-231 (73002 Activities)

Explore this target

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

HCC70 (557 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 35.18, Max Conc. mM: 100