ELQ-300 - Moligand™, ≥98% , CAS No.1354745-52-0

CAS: 1354745-52-0 Cat. No.: E412133 分子式: C₂₄H₁₇ClF₃NO₄ 分子量: 475.85

GRADE & PURITY Moligand™, ≥98%

Synonyms

6-Chloro-7-methoxy-2-methyl-3-(4-(4-(trifluoromethoxy)phenoxy)phenyl)-4(1H)-quinolinone | 6-chloro-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-quinolin-4-one | 4(1H)-Quinolinone, 6-chloro-7-methoxy-2-methyl-3-(4-(4-(trifluoromethoxy)ph

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

ELQ-300, a bioavailable antimalarial agent, is a potent and orally inhibitor of the reductive (Qi) site of the cytochrome bc1 complex (cyt bc1).

Specifications

同義語

6-Chloro-7-methoxy-2-methyl-3-(4-(4-(trifluoromethoxy)phenoxy)phenyl)-4(1H)-quinolinone | 6-chloro-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-quinolin-4-one | 4(1H)-Quinolinone, 6-chloro-7-methoxy-2-methyl-3-(4-(4-(trifluoromethoxy)ph

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

ELQ-300, a bioavailable antimalarial agent, is a potent and orally inhibitor of the reductive (Qi) site of the cytochrome bc1 complex (cyt bc1).

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

• パブケム・シド: 528764346
• カノニカル・スマイル: CC1=C(C(=O)C2=CC(=C(C=C2N1)OC)Cl)C3=CC=C(C=C3)OC4=CC=C(C=C4)OC(F)(F)F
• IUPAC Name: 6-chloro-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-quinolin-4-one
• InChIKey: WZDNKHCQIZRDKW-UHFFFAOYSA-N
• INCHI: 1S/C24H17ClF3NO4/c1-13-22(23(30)18-11-19(25)21(31-2)12-20(18)29-13)14-3-5-15(6-4-14)32-16-7-9-17(10-8-16)33-24(26,27)28/h3-12H,1-2H3,(H,29,30)
• 異性体SMILES: CC1=C(C(=O)C2=CC(=C(C=C2N1)OC)Cl)C3=CC=C(C=C3)OC4=CC=C(C=C4)OC(F)(F)F
• 分子量: 475.85
• Reaxy-Rn: 26906802
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26906802&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Diphenylethers Phenylpyridines Chloroquinolines Diarylethers Hydroquinolones Hydroquinolines Phenoxy compounds Anisoles Methylpyridines Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Vinylogous amides Trihalomethanes Azacyclic compounds Organochlorides Organic oxides Organonitrogen compounds Hydrocarbon derivatives Alkyl fluorides Organofluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - Diphenylether - 3-phenylpyridine - Diaryl ether - Haloquinoline - Dihydroquinolone - Chloroquinoline - Dihydroquinoline - Anisole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Methylpyridine - Benzenoid - Pyridine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Trihalomethane - Azacycle - Ether - Organofluoride - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Halomethane - Alkyl fluoride - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
• 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

関連ターゲット（人間）

HepG2 (196354 Activities)

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

関連ターゲット（非人間）

Plasmodium falciparum (966862 Activities)

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

Plasmodium berghei (192651 Activities)

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

Plasmodium yoelii (6656 Activities)

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

作用メカニズム

化学的性質と物理的性質

• 分子量: 475.800 g/mol
• XLogP3: 6.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 475.08 Da
• Monoisotopic Mass: 475.08 Da
• Topological Polar Surface Area: 56.800 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 730.000
• 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