TC-S 7009 - ≥99%(HPLC) , CAS No.1422955-31-4

CAS: 1422955-31-4 Cat. No.: T286573 Molecular Weight: 308.65 EC Number: 806-129-6 PubChem CID: 70697712

GRADE & PURITY ≥99%(HPLC)

Synonyms

MS-24479 | AKOS040742689 | Q27451504 | HIF-2 inhibitor 2 | TC-S 7009 | 4ghi | HIF-2 ANTAGONIST 2 | 2,1,3-Benzoxadiazol-5-aMine,N-(3-chloro-5-fluorophenyl)-4-nitro- | N-(3-Chloro-5-Fluorophenyl)-4-Nitro-2,1,3-Benzoxadiazol-5-Amine | E99008 | CDQUJZKBRAFWNG

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product description

TC-S 7009 is a potent and selective HIF-2α inhibitor with a Kd of 81 nM. TC-S 7009 is more selective for HIF-2α than HIF-1α (Kd ≫ 5 μM). TC-S 7009 disrupts HIF-2α heterodimerization, decreases DNA-binding activity, and reduces HIF-2α target gene expression.

Specifications

Synonyms

MS-24479 | AKOS040742689 | Q27451504 | HIF-2 inhibitor 2 | TC-S 7009 | 4ghi | HIF-2 ANTAGONIST 2 | 2, 1, 3-Benzoxadiazol-5-aMine, N-(3-chloro-5-fluorophenyl)-4-nitro- | N-(3-Chloro-5-Fluorophenyl)-4-Nitro-2, 1, 3-Benzoxadiazol-5-Amine | E99008 | CDQUJZKBRAFWNG

Specifications & Purity

≥99%(HPLC)

Biochemical and Physiological Mechanisms

High affinity and selective HIF-2αinhibitor (Kd= 81 nM). Binds to the HIF-2αPAS-B domain; disrupts HIF-2α-ARNT heterodimerization. Exhibits >60-fold selectivity for HIF-2αover HIF-1α. Decreases HIF-2αDNA-binding and attenuates expression of HIF-2αtarget g

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%(HPLC)

Names and Identifiers

• Pubchem Sid: 504771974
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771974
• Canonical Smiles: C1=CC2=NON=C2C(=C1NC3=CC(=CC(=C3)Cl)F)[N+](=O)[O-]
• IUPAC Name: N-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
• InChIKey: CDQUJZKBRAFWNG-UHFFFAOYSA-N
• INCHI: 1S/C12H6ClFN4O3/c13-6-3-7(14)5-8(4-6)15-10-2-1-9-11(17-21-16-9)12(10)18(19)20/h1-5,15H
• Isomeric SMILES: C1=CC2=NON=C2C(=C1NC3=CC(=CC(=C3)Cl)F)[N+](=O)[O-]
• PubChem CID: 70697712
• Molecular Weight: 308.65

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzoxadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzoxadiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxadiazoles
• Alternative Parents: Aniline and substituted anilines Nitroaromatic compounds Chlorobenzenes Fluorobenzenes Primary aromatic amines Aryl chlorides Aryl fluorides Heteroaromatic compounds Furazans Secondary amines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Organofluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxadiazole - Nitroaromatic compound - Aniline or substituted anilines - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Monocyclic benzene moiety - Primary aromatic amine - Aryl halide - Benzenoid - Aryl fluoride - Furazan - Oxadiazole - Azole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Organic 1,3-dipolar compound - Azacycle - Oxacycle - Organic oxide - Organohalogen compound - Organochloride - Amine - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organic zwitterion - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: 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

Associated Targets(Human)

EPAS1 Tclin Endothelial PAS domain-containing protein 1 (2 Activities)

Discover Target: EPAS1

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

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

ARNT Tbio Aryl hydrocarbon receptor nuclear translocator/Endothelial PAS domain-containing protein 1 (77 Activities)

Discover Target: ARNT

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 30.86, Max Conc. mM: 100
• Molecular Weight: 308.650 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 308.011 Da
• Monoisotopic Mass: 308.011 Da
• Topological Polar Surface Area: 96.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 399.000
• 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