Bulaquine - Moligand™,≥98% , CAS No.79781-00-3

CAS: 79781-00-3 Cat. No.: B608249 分子式: C₂₁H₂₇N₃O₃ 分子量: 369.46 PubChem CID: 9831444

GRADE & PURITY Moligand™, ≥98%

Synonyms

CDRI 80/53 | Bulaquine [INN] | Compound 80/53 | N'-(3-Acetyl-4,5-dihydro-2-furanyl)-N(4)-(6-methoxy-8-quinolyl)-1,4-pentanediamine | Q27290262 | UNII-TSQ6U39Q3G | BULAQUINE [WHO-DD] | CDRI 80-53 | HY-106866 | 2(3H)-Furanone, dihydro-3-(1-((4-((6-methoxy-8

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Bulaquine (CDRI 80/53) is a potent antimalarial agent which is an analogue of Primaquine. Bulaquine affects multiple metabolism pathways and shows inhibition effect on Plasmodium cynomolgi infection. Bulaquine can be used for the research of malaria

Specifications

同義語

CDRI 80/53 | Bulaquine [INN] | Compound 80/53 | N'-(3-Acetyl-4,5-dihydro-2-furanyl)-N(4)-(6-methoxy-8-quinolyl)-1,4-pentanediamine | Q27290262 | UNII-TSQ6U39Q3G | BULAQUINE [WHO-DD] | CDRI 80-53 | HY-106866 | 2(3H)-Furanone, dihydro-3-(1-((4-((6-methoxy-8

仕様と純度

Moligand™,≥98%

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

• カノニカル・スマイル: CC(CCCNC(=C1CCOC1=O)C)NC2=C3C(=CC(=C2)OC)C=CC=N3
• IUPAC Name: (3Z)-3-[1-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]ethylidene]oxolan-2-one
• InChIKey: ADCOUXIGWFEYJP-SDXDJHTJSA-N
• INCHI: 1S/C21H27N3O3/c1-14(6-4-9-22-15(2)18-8-11-27-21(18)25)24-19-13-17(26-3)12-16-7-5-10-23-20(16)19/h5,7,10,12-14,22,24H,4,6,8-9,11H2,1-3H3/b18-15-
• 異性体SMILES: CC(CCCN/C(=C\1/CCOC1=O)/C)NC2=C3C(=CC(=C2)OC)C=CC=N3
• PubChem CID: 9831444
• 分子量: 369.46

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminoquinolines and derivatives
• Alternative Parents: Methoxyanilines Anisoles Secondary alkylarylamines Alkyl aryl ethers Pyridines and derivatives Gamma butyrolactones Vinylogous amides Tetrahydrofurans Enoate esters Heteroaromatic compounds Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Dialkylamines Enamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aminoquinoline - Methoxyaniline - Anisole - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Gamma butyrolactone - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Amino acid or derivatives - Carboxylic acid ester - Lactone - Oxacycle - Azacycle - Carboxylic acid derivative - Secondary amine - Secondary aliphatic amine - Enamine - Ether - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.
• 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（非人間）

Plasmodium falciparum (966862 Activities)

Explore this target

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: 369.500 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 369.205 Da
• Monoisotopic Mass: 369.205 Da
• Topological Polar Surface Area: 72.500 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 537.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1