360A - ≥98% , CAS No.794458-56-3

CAS: 794458-56-3 Cat. No.: A127374 분자식: C₂₇H₂₃N₅O₂ 분자량: 449.5

등급 & 순도 ≥98%

Synonyms

360 A | 3,3'-[2,6-Pyridinediylbis(carbonylimino)]bis[1-methylquinolinium]

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

360A is a strong affinity and selectivity inhibitor of G-quadruplex structures.

사양

동의어

360 A | 3,3'-[2,6-Pyridinediylbis(carbonylimino)]bis[1-methylquinolinium]

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

Description:
IC50 Value: N/A
360A is a 2,6-pyridine-dicarboxamide derivative displaying strong affinity and selectivity for G-quadruplex structures and selective telomerase inhibition in vitro assays. 360A is a G-quadruplex liga

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

ACTIVATOR

순수함

≥98%

이름과 식별자

Pubchem Sid

528759297

정식 스마일

C[N+]1=CC(=CC2=CC=CC=C21)NC(=O)C3=NC(=CC=C3)C(=O)NC4=CC5=CC=CC=C5[N+](=C4)C

IUPAC Name

2-N,6-N-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide

InChIKey

KPOOEJJPTYXNTN-UHFFFAOYSA-P

INCHI

1S/C27H21N5O2/c1-31-16-20(14-18-8-3-5-12-24(18)31)28-26(33)22-10-7-11-23(30-22)27(34)29-21-15-19-9-4-6-13-25(19)32(2)17-21/h3-17H,1-2H3/p+2

이성체 SMILES

C[N+]1=CC(=CC2=CC=CC=C21)NC(=O)C3=NC(=CC=C3)C(=O)NC4=CC5=CC=CC=C5[N+](=C4)C

분자량

449.5

Reaxy-Rn

11230051

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11230051&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Pyridinecarboxylic acids and derivatives 2-heteroaryl carboxamides Pyridinium derivatives Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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

관련 대상(인간)

TERT Tchem Telomerase reverse transcriptase (3 Activities)

Discover Target: TERT

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: 25°C: DMSO
• 분자량: 449.500 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 449.185 Da
• Monoisotopic Mass: 449.185 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 34
• Formal Charge: 2
• Complexity: 674.000
• 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