DDD107498 - Moligand™, ≥98% , Plasmodium falciparum elongation factor 2, CAS No.1469439-69-7, Plasmodium falciparum elongation factor 2

CAS: 1469439-69-7 Cat. No.: D412165 Formule: C₂₇H₃₁FN₄O₂ Poids moléculaire: 462.56

GRADE & PURITY Moligand™, ≥98%

Synonyms

NCGC00490685-01 | DDD498 | E3OC1CU1F4 | 6-Fluoro-2-(4-(4-morpholinylmethyl)phenyl)-N-(2-(1-pyrrolidinyl)ethyl)-4-quinolinecarboxamide | BDBM50550147 | AC-35743 | BCP31981 | BENUHBSJOJMZEE-UHFFFAOYSA-N | 6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

DDD107498 DDD107498 (M-5717, DDD-498) is a P. falciparum translation elongation factor 2 inhibitor. DDD107498 exhibits a potent and novel spectrum of antimalarial activity against multiple life-cycle stages of the Plasmodium parasite.

Specifications

Synonymes

NCGC00490685-01 | DDD498 | E3OC1CU1F4 | 6-Fluoro-2-(4-(4-morpholinylmethyl)phenyl)-N-(2-(1-pyrrolidinyl)ethyl)-4-quinolinecarboxamide | BDBM50550147 | AC-35743 | BCP31981 | BENUHBSJOJMZEE-UHFFFAOYSA-N | 6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyr

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

DDD107498 (M-5717, DDD-498) is a P. falciparum translation elongation factor 2 inhibitor. DDD107498 exhibits a potent and novel spectrum of antimalarial activity against multiple life-cycle stages of the Plasmodium parasite.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Mécanisme d'action

Plasmodium falciparum elongation factor 2

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504772223
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772223
• Sourires canoniques: C1CCN(C1)CCNC(=O)C2=CC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)CN5CCOCC5
• IUPAC Name: 6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
• InChIKey: BENUHBSJOJMZEE-UHFFFAOYSA-N
• INCHI: 1S/C27H31FN4O2/c28-22-7-8-25-23(17-22)24(27(33)29-9-12-31-10-1-2-11-31)18-26(30-25)21-5-3-20(4-6-21)19-32-13-15-34-16-14-32/h3-8,17-18H,1-2,9-16,19H2,(H,29,33)
• Isomères SMILES: C1CCN(C1)CCNC(=O)C2=CC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)CN5CCOCC5
• Poids moléculaire: 462.56
• Reaxy-Rn: 24093612
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24093612&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Quinoline carboxamides Phenylpyridines Haloquinolines Pyridinecarboxylic acids and derivatives Benzylamines Phenylmethylamines Aralkylamines Aryl fluorides Morpholines N-alkylpyrrolidines Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - Quinoline-4-carboxamide - 2-phenylpyridine - Haloquinoline - Pyridine carboxylic acid or derivatives - Benzylamine - Phenylmethylamine - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyridine - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Heteroaromatic compound - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: 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

Cibles associées (humaines)

EEF2 Tchem Elongation factor 2 (1 Activities)

Discover Target: EEF2

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

MRC5 (9203 Activities)

Explore this target

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

Cibles associées (non humaines)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: insoluble in H2O; ≥14.05 mg/mL in DMSO; ≥96 mg/mL in EtOH
• Poids moléculaire: 462.600 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 462.243 Da
• Monoisotopic Mass: 462.243 Da
• Topological Polar Surface Area: 57.700 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 647.000
• 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