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DDD107498 - 98%, high purity , CAS No.1469439-69-7, Plasmodium falciparum elongation factor 2

COA

Grade & Purity:

Moligand™

≥98%

Cas Number: 1469439-69-7
Molecular Weight: 462.56
PubChem CID: 71748268
PubChem SID: 504772223

In stock

Item Number

D412165

Grouped product items
SKU	Size	Availability	Price
D412165-5mg	5mg	3	$236.90
D412165-10mg	10mg	2	$375.90
D412165-25mg	25mg	2	$791.90
D412165-50mg	50mg	2	$1,266.90
D412165-100mg	100mg	2	$2,280.90

Parasite Inhibitors

View related series

Anti-infection (2803) CaMK (32) Neuronal Signaling (3320) Parasite (997) Plasmodium falciparum elongation factor 2 (1)

Basic Description

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
Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	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.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Mechanism of action	Plasmodium falciparum elongation factor 2
Product Description	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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Phenylquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	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
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

Associated Targets(Human)

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)

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

Associated Targets(non-human)

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504772223
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504772223
IUPAC Name	6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
INCHI	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)
InChIKey	BENUHBSJOJMZEE-UHFFFAOYSA-N
Smiles	C1CCN(C1)CCNC(=O)C2=CC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)CN5CCOCC5
Isomeric SMILES	C1CCN(C1)CCNC(=O)C2=CC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)CN5CCOCC5
Molecular Weight	462.56
Reaxy-Rn	24093612
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24093612&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
K2218410	Certificate of Analysis	Aug 29, 2022	D412165
K2218375	Certificate of Analysis	Aug 29, 2022	D412165
K2218411	Certificate of Analysis	Aug 29, 2022	D412165
K2218377	Certificate of Analysis	Aug 29, 2022	D412165
K2218412	Certificate of Analysis	Aug 29, 2022	D412165

Chemical and Physical Properties

Solubility	insoluble in H2O; ≥14.05 mg/mL in DMSO; ≥96 mg/mL in EtOH
Molecular Weight	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 Å²
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

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DDD107498 - 98%, high purity , CAS No.1469439-69-7, Plasmodium falciparum elongation factor 2

Basic Description

Taxonomic Classification

Associated Targets(Human)

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

Chemical and Physical Properties

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

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