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

La gravéoline a été étudiée en tant que traitement anticancéreux potentiellement puissant et efficace, avec des preuves solides de son action apoptotique et autophagique sur les cellules de mélanome de la peau.

Spécifications

Synonymes

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Température ambiante

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.

Type d'action

INHIBITOR

Pureté

≥97%

Noms et identifiants

Sourires canoniques

CN1C2=CC=CC=C2C(=O)C=C1C3=CC4=C(C=C3)OCO4

IUPAC Name

2-(1,3-benzodioxol-5-yl)-1-methylquinolin-4-one

InChIKey

COBBNRKBTCBWQP-UHFFFAOYSA-N

INCHI

1S/C17H13NO3/c1-18-13-5-3-2-4-12(13)15(19)9-14(18)11-6-7-16-17(8-11)21-10-20-16/h2-9H,10H2,1H3

Isomères SMILES

CN1C2=CC=CC=C2C(=O)C=C1C3=CC4=C(C=C3)OCO4

Poids moléculaire

279.29

Reaxy-Rn

546246

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=546246&ln=

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)

Données qualité spécifiques au lot. Saisissez votre numéro de lot pour récupérer le COA exact.

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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

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Classe Quinolines and derivatives
    - Subclass Quinolones and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Classe	Quinolines and derivatives
Subclass	Quinolones and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Hydroquinolones
Alternative Parents	Hydroquinolines Benzodioxoles Pyridines and derivatives Benzenoids Vinylogous amides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Dihydroquinolone - Dihydroquinoline - Benzodioxole - Pyridine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azacycle - Acetal - Oxacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
External Descriptors	Quinoline alkaloids - Quinazoline alkaloids
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

Structure 3D

Cibles associées (humaines)

ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)

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HL (112 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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RAPGEF4 Tchem Rap guanine nucleotide exchange factor 4 (11476 Activities)

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Cibles associées (non humaines)

Chlamydia pneumoniae (241 Activities)

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Plasmodium falciparum (966862 Activities)

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Fusarium oxysporum (3998 Activities)

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Botrytis cinerea (4183 Activities)

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Lactuca sativa (1092 Activities)

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BCHE Cholinesterase (8742 Activities)

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Allium cepa (293 Activities)

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Colletotrichum fragariae (147 Activities)

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Lemna aequinoctialis (120 Activities)

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Agrostis stolonifera (91 Activities)

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FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

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Diaporthe ampelina (88 Activities)

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Phomopsis obscurans (86 Activities)

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Mécanismes d'action

Certificats (CoA, COO, BSE/TSE et tableau d'analyse)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Propriétés chimiques et physiques

Point d'ébullition (°C)	436.7°C at 760 mmHg
Point de fusion (°C)	204-205 °C
Poids moléculaire	279.290 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	279.09 Da
Monoisotopic Mass	279.09 Da
Topological Polar Surface Area	38.800 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	461.000
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

Calculateurs de solution

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Avis

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Graveoline - ≥97% , CAS No.485-61-0

Stockage & expédition

Documents qualité

Preuve documentaire

Vue d’ensemble

Spécifications

Documentation

📋 Fiche de données de sécurité (FDS)

✅ Certificat d'analyse (COA)

📊 Fiche technique

🔬 Fiche de spécifications

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Avis des clients

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