UBCS039 - 10mM in DMSO , CAS No.358721-70-7

CAS: 358721-70-7 Cat. No.: U423614 Formula: C₁₆H₁₃N₃ Peso molecolare: 247.29 PubChem CID: 2803797

QUALITÀ & PUREZZA 10mM in DMSO

Synonyms

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

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

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 

Specifiche

Sinonimi

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

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

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.

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

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

Proprietà del prodotto

ALogP

2.914

Conteggio HBD

1

Legame rotabile

1

Nomi e identificatori

Pubchem Sid

528767565

Sorrisi canonici

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

Isomeri SMILES

C1=CC=C2C(=C1)NC(C3=CC=CN32)C4=CN=CC=C4

PubChem CID

2803797

Peso molecolare

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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• DMSO (mg/mL) Solubilità massima: 49
• DMSO (mM) Solubilità massima: 198.147923490639
• Acqua (mg/mL) Solubilità massima: ＜1
• Peso molecolare: 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