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

CAS: 358721-70-7 Cat. No.: U423614 Summenformel: C₁₆H₁₃N₃ Molekulargewicht: 247.29 PubChem CID: 2803797

QUALITÄT & REINHEIT 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

Übersicht

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 

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

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.

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Produkteigenschaften

ALogP

2.914

HBD-Zahl

1

Rotationsfähige Bindung

1

Namen und Kennungen

Pubchem Sid

528767565

Kanonisches Lächeln

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

Isomere SMILES

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

PubChem CID

2803797

Molekulargewicht

247.29

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mg/ml) Maximale Löslichkeit: 49
• DMSO (mM) Maximale Löslichkeit: 198.147923490639
• Wasser (mg/ml) Maximale Löslichkeit: ＜1
• Molekulargewicht: 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