RHPS 4 methosulfate - ≥98%(HPLC) , CAS No.390362-78-4

CAS: 390362-78-4 Cat. No.: R287983 분자식: C₂₂H₁₇F₂N₂•CH₃O₄S 분자량: 459.5 PubChem CID: 9804187

GRADE & PURITY ≥98%(HPLC)

Synonyms

3,11-Difluoro-6,8,13-trimethyl-8H-quino[4,3,2,kl]acridinium methosulfate, NSC 714187, Quino[4,3,2-kl]acridinium | RHPS4 methosulfate | 3,11-difluoro-6,8,13-trimethyl-8H-quinolino[4,3,2-kl]acridin-13-ium methyl sulfate

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

동의어

3,11-Difluoro-6,8,13-trimethyl-8H-quino[4,3,2,kl]acridinium methosulfate, NSC 714187, Quino[4,3,2-kl]acridinium | RHPS4 methosulfate | 3,11-difluoro-6,8,13-trimethyl-8H-quinolino[4,3,2-kl]acridin-13-ium methyl sulfate

사양 및 순도

≥98%(HPLC)

생화학 및 생리적 메커니즘

Telomerase inhibitor. Inhibits growth of medulloblastoma and glioblastoma cellsin vitro. Induces telomere injury and apoptosis, and reduces growth in CG5 breast cancer cell xenografts in mice. Sensitizes radiation resistant glioblastoma cell lines to radi

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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순수함

≥98%(HPLC)

이름과 식별자

Pubchem Sid

504764872

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764872

정식 스마일

CC1=CC2=C3C(=C1)N(C4=C(C3=[N+](C5=C2C=C(C=C5)F)C)C=C(C=C4)F)C.COS(=O)(=O)[O-]

IUPAC Name

4,16-difluoro-8,11,20-trimethyl-8-aza-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),3,5,9,11,13(21),14(19),15,17-decaene;methyl sulfate

InChIKey

VRWGYMXWYZBBGF-UHFFFAOYSA-M

INCHI

1S/C22H17F2N2.CH4O4S/c1-12-8-16-15-10-13(23)4-6-18(15)26(3)22-17-11-14(24)5-7-19(17)25(2)20(9-12)21(16)22;1-5-6(2,3)4/h4-11H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1

이성체 SMILES

CC1=CC2=C3C(=C1)N(C4=C(C3=[N+](C5=C2C=C(C=C5)F)C)C=C(C=C4)F)C.COS(=O)(=O)[O-]

PubChem CID

9804187

분자량

459.5

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthridines and derivatives
• Alternative Parents: Acridines Haloquinolines Isoquinolines and derivatives Naphthyridines Sulfuric acid monoesters Alkyl sulfates Aryl fluorides Benzenoids Pyridinium derivatives Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organonitrogen compounds Organic oxides Organofluorides Organic cations
• Molecular Framework: Not available
• Substituents: Acridine - Phenanthridine - Haloquinoline - Isoquinoline - Naphthyridine - Aryl fluoride - Aryl halide - Pyridine - Pyridinium - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Benzenoid - Organic sulfuric acid or derivatives - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organohalogen compound - Organofluoride - Organic cation - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenanthridines and derivatives. These are polycyclic compounds containing a phenanthridine moiety, which is a tricyclic system with two benzene rings joined by a pyridine forming a non-linear skeleton. Hydrogenated derivatives are also included.
• 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 (1 Activities)

Discover Target: TERT

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

TERT Tchem Telomerase reverse transcriptase (2428 Activities)

Discover Target: TERT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:water, Max Conc. mg/mL: 4.58, Max Conc. mM: 10 with gentle warming; Solvent:DMSO, Max Conc. mg/mL: 9.17, Max Conc. mM: 20
• 감도: light sensitive
• 분자량: 458.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 458.111 Da
• Monoisotopic Mass: 458.111 Da
• Topological Polar Surface Area: 81.900 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 633.000
• 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: 2

XLogP3