GN 44028 - ≥98%(HPLC) , CAS No.1421448-26-1

CAS: 1421448-26-1 Cat. No.: G288045 Formule: C₁₈N₁₅N₃O₂ Poids moléculaire: 305.33

GRADE & PURITY ≥98%(HPLC)

Synonyms

N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,4-dihydroindeno[1,2-c]pyrazol-3-amine | GN44028

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,4-dihydroindeno[1,2-c]pyrazol-3-amine | GN44028

Spécifications et pureté

≥98%(HPLC)

Mécanismes biochimiques et physiologiques

Potent HIF-1αinhibitor (IC50= 14 nM). Inhibits hypoxia-induced HIF-1αtranscriptional activity without suppressing HIF-1αmRNA expression, HIF-1αprotein accumulation, or HIF-1α/HIF-1βheterodimerization. Cytotoxic to a range of cancer cell typesin vitro.

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.

Type d'action

INHIBITOR

Pureté

≥98%(HPLC)

Noms et identifiants

Pubchem Sid

504772186

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504772186

Sourires canoniques

C1COC2=C(O1)C=CC(=C2)NC3=NNC4=C3CC5=CC=CC=C54

IUPAC Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dihydroindeno[1,2-c]pyrazol-3-amine

InChIKey

CGZKSZVSWAAUHE-UHFFFAOYSA-N

INCHI

1S/C18H15N3O2/c1-2-4-13-11(3-1)9-14-17(13)20-21-18(14)19-12-5-6-15-16(10-12)23-8-7-22-15/h1-6,10H,7-9H2,(H2,19,20,21)

Isomères SMILES

C1COC2=C(O1)C=CC(=C2)NC3=NNC4=C3CC5=CC=CC=C54

Poids moléculaire

305.33

Reaxy-Rn

23401922

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23401922&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzodioxanes
      • Subclass Benzo-1,4-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzodioxanes
• Subclass: Benzo-1,4-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzo-1,4-dioxanes
• Alternative Parents: Alkyl aryl ethers Para dioxins Imidolactams Benzenoids Pyrazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzo-1,4-dioxane - Alkyl aryl ether - Para-dioxin - Benzenoid - Imidolactam - Azole - Pyrazole - Heteroaromatic compound - Ether - Oxacycle - Azacycle - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane 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

Cibles associées (humaines)

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

Discover Target: HIF1A

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

PC-3 (62116 Activities)

Explore this target

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

HCT-116 (91556 Activities)

Explore this target

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

HepG2 (196354 Activities)

Explore this target

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

HeLa (62764 Activities)

Explore this target

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

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

Discover Target: HIF1A

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 30.53, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 30.53, Max Conc. mM: 100
• Poids moléculaire: 305.300 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 305.116 Da
• Monoisotopic Mass: 305.116 Da
• Topological Polar Surface Area: 59.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 434.000
• 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