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

CAS: 787634-60-0 Cat. No.: N648287 Formule: C12H15N3O4S Poids moléculaire: 297.33 PubChem CID: 9817686
DISPONIBLE À COMMANDE
QUALITÉ & PURETÉ 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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Taille
USA
Allemagne (EU)*
Prix
Qté
1mg
N648287-1mg
Sur commande · 8–12 semaines
29,90$US
5mg
N648287-5mg
Sur commande · 8–12 semaines
63,90$US
25mg
N648287-25mg
Sur commande · 8–12 semaines
189,90$US
100mg
N648287-100mg
Sur commande · 8–12 semaines
462,90$US
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Pourquoi cette qualité

Moligand™,≥98% Moligand™ pour les flux de travail chromatographiques et analytiques sensibles nécessitant une interférence de ligne de base minimale.

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Stockage & expédition

Store at -20°C,Argon charged Expédition Ice chest + Ice pads. Consultez le COA spécifique au lot pour les spécifications exactes.

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Documents qualité

SDS, COA, fiche technique et fiche de spécifications disponibles au téléchargement. COA spécifique au lot accessible via la recherche par numéro de lot.

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Preuve documentaire

Cité dans 0 publications à comité de lecture couvrant la chromatographie, la synthèse organique et les réactions de couplage croisé.

Vue d’ensemble

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

Spécifications

Spécifications et pureté
Moligand™,≥98%
Mécanismes biochimiques et physiologiques
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
Conditions de stockage de stockage
Store at -20°C,Argon charged
Expédié en
Ice chest + Ice pads
Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Grade
Moligand™
Type d'action
INHIBITOR
Pureté
≥98%
Noms et identifiants
Sourires canoniques
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
Isomères SMILES
C1=C(C2=NON=C2C(=C1)SCCCCCCO)[N+](=O)[O-]
PubChem CID
9817686
Termes d'entrée MeSH
6-(7-nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol;NBDHEX compound
Poids moléculaire
297.33

Documentation

📋 Fiche de données de sécurité (FDS)

Document complet couvrant les dangers, la manipulation, le stockage et la conformité réglementaire.

<<<<<<< HEAD Télécharger la SDS → ======= Télécharger la SDS → >>>>>>> release248-p3

✅ Certificat d'analyse (COA)

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📊 Fiche technique

Résumé de référence rapide des spécifications et applications du produit.

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🔬 Fiche de spécifications

Attributs de qualité complets et critères d'acceptation pour cette qualité.

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Données avancées

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasseBenzoxadiazoles
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
DescriptionThis 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
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
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
Cibles associées (non humaines)
Giardia intestinalis (1290 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeDateArticle
H2626319H2626319Certificate of AnalysisMar 18, 2026 N648287
H2626320H2626320Certificate of AnalysisMar 18, 2026 N648287
H2626321H2626321Certificate of AnalysisMar 18, 2026 N648287
H2626322H2626322Certificate of AnalysisMar 18, 2026 N648287
Propriétés chimiques et physiques
SolubilitéDMSO : 125 mg/mL (420.41 mM; Need ultrasonic)
Poids moléculaire297.330 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
Calculateurs de solution
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