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

CAS: 358721-70-7 Cat. No.: U423614 분자식: C₁₆H₁₃N₃ 분자량: 247.29 PubChem CID: 2803797

등급 & 순도 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

개요

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 

사양

동의어

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

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

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.

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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제품 특성

ALogP

2.914

HBD 수

1

회전 가능한 결합

1

이름과 식별자

Pubchem Sid

528767565

정식 스마일

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

이성체 SMILES

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

PubChem CID

2803797

분자량

247.29

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• DMSO(mg/mL) 최대 용해도: 49
• DMSO(mM) 최대 용해도: 198.147923490639
• 물(mg/mL) 최대 용해도: ＜1
• 분자량: 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