UBCS039 - ≥98% , CAS No.358721-70-7

CAS: 358721-70-7 Cat. No.: U414262 Formule: C₁₆H₁₃N₃ Poids moléculaire: 247.29 PubChem CID: 2803797

GRADE & PURITY ≥98%

Synonyms

Pyrrolo[1,​2-​a]​quinoxaline,4,​5-​dihydro-​4-​(3-​pyridinyl)​-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

UBCS039 UBCS039 is the first synthetic SIRT6 activator with EC50 of 38 μM,induces a time-dependent activation of autophagy in several human tumor cell lines.

Targets

SIRT6 (Cell-free assay) 38 μM(EC50)

In vitro

UBCS039 induces deacetylation of SIRT6-targeted histone H3 sites in human cancer cells.UBCS039 leads to autophagosome accumulation and induces autophagic flux in human cancer cells.UBCS039 also induces autophagy-associated cell death.

Cell Research(from reference)

Cell lines：HeLa cells 

Concentrations：100\u2009µM 

Incubation Time：24\u2009h 

Specifications

Synonymes

Pyrrolo[1,​2-​a]​quinoxaline,4,​5-​dihydro-​4-​(3-​pyridinyl)​-

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

UBCS039 is the first synthetic SIRT6 activator with EC50 of 38 μM,induces a time-dependent activation of autophagy in several human tumor cell lines.

Conditions de stockage de stockage

Store at -20°C

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.

Pureté

≥98%

Propriétés du produit

• ALogP: 2.914
• Nombre de HBD: 1
• Liaison rotative: 1

Noms et identifiants

• Pubchem Sid: 504762198
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762198
• Sourires canoniques: C1=CC=C2C(=C1)NC(C3=CC=CN32)C4=CN=CC=C4
• IUPAC Name: 4-pyridin-3-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline
• InChIKey: BSOBGTYXYGHUTD-UHFFFAOYSA-N
• INCHI: 1S/C16H13N3/c1-2-7-14-13(6-1)18-16(12-5-3-9-17-11-12)15-8-4-10-19(14)15/h1-11,16,18H
• Isomères SMILES: C1=CC=C2C(=C1)NC(C3=CC=CN32)C4=CN=CC=C4
• PubChem CID: 2803797
• Poids moléculaire: 247.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Secondary alkylarylamines Aralkylamines Pyridines and derivatives Benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Pyridine - Heteroaromatic compound - Pyrrole - Azacycle - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solubility (25°C) In vitro DMSO: 49 mg/mL (198.14 mM); Ethanol: 16 mg/mL (64.7 mM); Water: Insoluble
• DMSO (mg/mL) Solubilité maximale: 49
• DMSO (mM) Solubilité maximale: 198.147923490639
• Eau (mg/mL) Solubilité maximale: ＜1
• Poids moléculaire: 247.290 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 247.111 Da
• Monoisotopic Mass: 247.111 Da
• Topological Polar Surface Area: 29.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 319.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

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

The CAS Number is 358721-70-7, the molecular formula is C16H13N3, and the molecular weight is 247.29 g/mol. InChIKey BSOBGTYXYGHUTD-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.