NBDHEX - Moligand™,≥98% , CAS No.787634-60-0

CAS: 787634-60-0 Cat. No.: N648287 Fórmula: C12H15N3O4S Peso molecular: 297.33 PubChem CID: 9817686
Disponible para pedir
CALIDAD & PUREZA Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
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Talla
USA
Alemania (EU)*
Precio
Cantidad
1mg
N648287-1mg
Fabricado bajo pedido · 8–12 semanas
29,90US$
5mg
N648287-5mg
Fabricado bajo pedido · 8–12 semanas
63,90US$
25mg
N648287-25mg
Fabricado bajo pedido · 8–12 semanas
189,90US$
100mg
N648287-100mg
Fabricado bajo pedido · 8–12 semanas
462,90US$
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Por qué esta calidad

Moligand™,≥98% Moligand™ para flujos de trabajo cromatográficos y analíticos sensibles que requieren una interferencia mínima de la línea base.

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Almacenamiento y envío

Store at -20°C,Argon charged Envío Ice chest + Ice pads. Consulte el COA específico del lote para conocer las especificaciones exactas.

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Prueba documental

Citado en 0 publicaciones revisadas por pares sobre cromatografía, síntesis orgánica y reacciones de acoplamiento cruzado.

Descripción general

NBDHEX is a potent glutathione S-transferase P1-1 (GSTP1-1) inhibitor. NBDHEX induces apoptosis of tumor cells. NBDHEX acts as an anticancer agent by inhibiting GSTs catalytic activity, avoiding inconvenience of the inhibitor extrusion from the cell by specific pumps and disrupting the interaction between the GSTP1-1 and key signaling effectors. NBDHEX can also act as late-phase autophagy inhibitor

In Vitro

NBDHEX (0.05-20 μM; 48 hours; H69 and H69AR cells) is cytotoxic toward cell lung cancer H69 and H69AR cells. NBDHEX (0-5 μM; 24 hours; H69AR cells) treatment results in a dose-dependent apoptosis in the H69AR cell line. NBDHEX (3 μM; 1-12 hours; H69AR cells) treatment increases the phosphorylation of JNK/c-Jun in H69AR cells in a time-dependent fashion. NBDHEX treatment shows a marked increase in phosphorylation of p38 MAPK , and also increases GSSG content in a time-dependent manner in H69 cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: H69 and H69AR cells Concentration: 0.05-20 μM Incubation Time: 48 hours Result: The dose-response profiles revealed a good cytotoxic activity both in sensitive H69 cell line (LC 50 of 2.3 μM) and in its Adriamycin-resistant counterpart H69AR (LC 50 of 4.5 μM). Apoptosis AnalysisCell Line: H69AR cells Concentration: 0 μM, 0.5 μM, 1 μM, 2 μM, 3 μM, 4 μM, 5 μM Incubation Time: 24 hours Result: Resulted in a dose-dependent apoptosis in the H69AR cell line. Western Blot AnalysisCell Line: H69AR cells Concentration: 3 μM Incubation Time: 1 hour,3 hours, 6 hours, 12 hours Result: Increased the phosphorylation of JNK/c-Jun in H69AR cells in a time-dependent fashion.

In Vivo

NBDHEX (0.8-80 mg/kg/day; oral administration; daily; for 15 days; SCID female mice) treatment results a statistically significant tumour inhibition (approximately 70%). MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: SCID female mice (4-5 weeks) injected with Me501cellsDosage: 0.8 mg/kg/day, 8.0 mg/kg/day or 80 mg/kg/day Administration: Oral administration; daily; for 15 days Result: A statistically significant tumour inhibition (approximately 70%) was observed.

Form:Solid

IC50& Target:Glutathione S-transferase P1-1 (GSTP1-1), ,Apoptosis, ,Autophagy

Especificaciones

Especificaciones y pureza
Moligand™,≥98%
Mecanismos bioquímicos y fisiológicos
NBDHEX is a potent glutathione S-transferase P1-1 (GSTP1-1) inhibitor. NBDHEX induces apoptosis of tumor cells. NBDHEX acts as an anticancer agent by inhibiting GSTs catalytic activity, avoiding inconvenience of the inhibitor extrusion from the cell by sp
Condiciones de almacenamiento de almacenamiento
Store at -20°C,Argon charged
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Grado
Moligand™
Tipo de acción
INHIBITOR
Pureza
≥98%
Nombres e identificadores
Sonrisas canónicas
C1=C(C2=NON=C2C(=C1)SCCCCCCO)[N+](=O)[O-]
IUPAC Name
6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol
InChIKey
RGXYYAZGELLKDA-UHFFFAOYSA-N
INCHI
1S/C12H15N3O4S/c16-7-3-1-2-4-8-20-10-6-5-9(15(17)18)11-12(10)14-19-13-11/h5-6,16H,1-4,7-8H2
Isómeros SMILES
C1=C(C2=NON=C2C(=C1)SCCCCCCO)[N+](=O)[O-]
PubChem CID
9817686
Términos de entrada MeSH
6-(7-nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol;NBDHEX compound
Peso molecular
297.33

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)

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📊 Ficha técnica

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

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🔬 Hoja de especificaciones

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Datos avanzados

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseBenzoxadiazoles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzoxadiazoles
Alternative Parents Thiophenol ethers  Nitroaromatic compounds  Alkylarylthioethers  Furazans  Heteroaromatic compounds  Sulfenyl compounds  Propargyl-type 1,3-dipolar organic compounds  Oxacyclic compounds  Azacyclic compounds  Organic oxoazanium compounds  Organic oxides  Hydrocarbon derivatives  Organic salts  Organic zwitterions  Organonitrogen compounds  Primary alcohols  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzoxadiazole - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Alkylarylthioether - Benzenoid - Azole - Furazan - Heteroaromatic compound - Oxadiazole - C-nitro compound - Organic nitro compound - Organic oxoazanium - Oxacycle - Thioether - Azacycle - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Primary alcohol - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic zwitterion - Organic salt - Hydrocarbon derivative - Alcohol - Organonitrogen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as benzoxadiazoles. These are organic compounds containing a benzene fused to an oxadiazole ring (a five-membered ring with two carbon atoms, one nitrogen atom, and one oxygen atom).
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
GSTP1 Tchem Glutathione S-transferase P (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GSTM2 Tchem Glutathione S-transferase Mu 2 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GSTM2 Tchem Glutathione S-transferase Mu 2 (77 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GSTP1 Tchem Glutathione S-transferase Pi (449 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
143B (353 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HOS (906 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HUVEC (11049 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Giardia intestinalis (1290 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

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4 results found

Lot NumberCertificate TypeFechaArticulo
H2626319H2626319Certificate of AnalysisMar 18, 2026 N648287
H2626320H2626320Certificate of AnalysisMar 18, 2026 N648287
H2626321H2626321Certificate of AnalysisMar 18, 2026 N648287
H2626322H2626322Certificate of AnalysisMar 18, 2026 N648287
Propiedades químicas y físicas
SolubilidadDMSO : 125 mg/mL (420.41 mM; Need ultrasonic)
Peso molecular297.330 g/mol
XLogP32.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass297.078 Da
Monoisotopic Mass297.078 Da
Topological Polar Surface Area130.000 Ų
Heavy Atom Count20
Formal Charge0
Complexity316.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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