HIF-2α-IN-3 - ≥99% , CAS No.313964-19-1

CAS: 313964-19-1 Cat. No.: H650112 Formula: C₁₂H₆ClN₅O₅ Peso molecolare: 335.66 PubChem CID: 2836622

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

HIF-2α-IN-3, an allosteric inhibitor of hypoxia inducible factor-2α ( HIF-2α ), exhibits an IC 50 of 0.4 µM and a K D of 1.1 µM. Anticancer agent

In Vitro

HIF-2α-IN-3 (Compound 1) inhibit HIF-2α-ARNT (also known as HIF-β) heterodimerization by binding an internal cavity of the HIF-2α PAS-B domain. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 0.4 µM (HIF-2α), KD: 1.1 µM (HIF-2α)

Specifications

Specifiche e purezza

≥99%

Meccanismi biochimici e fisiologici

HIF-2α-IN-3, an allosteric inhibitor of hypoxia inducible factor-2α ( HIF-2α ), exhibits an IC 50 of 0.4 µM and a K D of 1.1 µM. Anticancer agent.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥99%

Nomi e identificatori

Sorrisi canonici

C1=CC(=C(C=C1NC2=C(C3=NON=C3C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl

IUPAC Name

N-(4-chloro-3-nitrophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine

InChIKey

PQZKMXPISWCLCU-UHFFFAOYSA-N

INCHI

1S/C12H6ClN5O5/c13-7-2-1-6(5-10(7)17(19)20)14-9-4-3-8-11(16-23-15-8)12(9)18(21)22/h1-5,14H

Isomeri SMILES

C1=CC(=C(C=C1NC2=C(C3=NON=C3C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl

PubChem CID

2836622

Peso molecolare

335.66

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzoxadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzoxadiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxadiazoles
• Alternative Parents: Nitrobenzenes Aniline and substituted anilines Nitroaromatic compounds Chlorobenzenes Aryl chlorides Furazans Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Secondary amines Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Organochlorides Hydrocarbon derivatives Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxadiazole - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Furazan - Heteroaromatic compound - Oxadiazole - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Organic zwitterion - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organochloride - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This 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

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

Obiettivi associati (umani)

EPAS1 Tclin Endothelial PAS domain-containing protein 1 (498 Activities)

Discover Target: EPAS1

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: DMSO : 12.5 mg/mL (37.24 mM; Need ultrasonic)
• Peso molecolare: 335.660 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 335.006 Da
• Monoisotopic Mass: 335.006 Da
• Topological Polar Surface Area: 143.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 472.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 313964-19-1, the molecular formula is C12H6ClN5O5, and the molecular weight is 335.66 g/mol. InChIKey PQZKMXPISWCLCU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.