(+)-SJ733 - Moligand™, ≥98% , CAS No.1424799-20-1

CAS: 1424799-20-1 Cat. No.: S613594 Formule: C24H16F4N4O2 Poids moléculaire: 468.40 Numéro CE: 871-903-2
DISPONIBLE À COMMANDE
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
Synonyms
GTPL9723 | Q27292006 | UNII-VT3A7NA96K | (3S,4S)-1-Oxo-3-pyridin-3-yl-2-(2,2,2-trifluoro-ethyl)-1,2,3,4-tetrahydro-isoquinoline-4-carboxylic acid (3-cyano-4-fluoro-phenyl)-amide | (3S,4S)-N-(3-cyano-4-fluorophenyl)-1-oxo-3-pyridin-3-yl-2-(2,2,2-trifluoroe
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
Allemagne (EU)*
Price
Qty
1mg
S613594-1mg
5 En stock
—
168,90$US
5mg
S613594-5mg
3 En stock
—
388,90$US
25mg
S613594-25mg
3 En stock
—
777,90$US
Enter a quantity for the sizes you want to add.
🧪

Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Vue d’ensemble

(+)-SJ733 is an anti-malaria agent which can also inhibit Na+-ATPase PfATP4.

Specifications

Synonymes
GTPL9723 | Q27292006 | UNII-VT3A7NA96K | (3S,4S)-1-Oxo-3-pyridin-3-yl-2-(2,2,2-trifluoro-ethyl)-1,2,3,4-tetrahydro-isoquinoline-4-carboxylic acid (3-cyano-4-fluoro-phenyl)-amide | (3S,4S)-N-(3-cyano-4-fluorophenyl)-1-oxo-3-pyridin-3-yl-2-(2,2,2-trifluoroe
Spécifications et pureté
Moligand™, ≥98%
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™
Type d'action
INHIBITOR
Pureté
≥98%
Noms et identifiants
Pubchem Sid528752683
Sourires canoniquesN#Cc1cc(ccc1F)NC(=O)[C@H]1c2ccccc2C(=O)N([C@@H]1c1cccnc1)CC(F)(F)F
IUPAC Name(3S,4S)-N-(3-cyano-4-fluorophenyl)-1-oxo-3-pyridin-3-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinoline-4-carboxamide
InChIKeyVKCPFWKTFZAOTO-LEWJYISDSA-N
INCHI1S/C24H16F4N4O2/c25-19-8-7-16(10-15(19)11-29)31-22(33)20-17-5-1-2-6-18(17)23(34)32(13-24(26,27)28)21(20)14-4-3-9-30-12-14/h1-10,12,20-21H,13H2,(H,31,33)/t20-,21+/m0/s1
Isomères SMILES C1=CC=C2C(=C1)[C@@H]([C@H](N(C2=O)CC(F)(F)F)C3=CN=CC=C3)C(=O)NC4=CC(=C(C=C4)F)C#N
Poids moléculaire 468.40

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasseIsoquinolines and derivatives
SubclassIsoquinolones and derivatives
Intermediate Tree Nodes Not available
Direct ParentIsoquinolones and derivatives
Alternative Parents Tetrahydroisoquinolines  Anilides  Benzonitriles  N-arylamides  Fluorobenzenes  Pyridines and derivatives  Aryl fluorides  Tertiary carboxylic acid amides  Heteroaromatic compounds  Secondary carboxylic acid amides  Lactams  Nitriles  Azacyclic compounds  Carbonyl compounds  Organic oxides  Organofluorides  Alkyl fluorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Isoquinolone - Tetrahydroisoquinoline - Anilide - Benzonitrile - N-arylamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Nitrile - Carbonitrile - Azacycle - Organooxygen compound - Alkyl halide - Hydrocarbon derivative - Organohalogen compound - Alkyl fluoride - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Cibles associées (non humaines)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium berghei (192651 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeDateArticle
H2519467Certificate of AnalysisApr 02, 2025 S613594
H2519468Certificate of AnalysisApr 02, 2025 S613594
H2519470Certificate of AnalysisApr 02, 2025 S613594
Propriétés chimiques et physiques
Poids moléculaire468.400 g/mol
XLogP33.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass468.121 Da
Monoisotopic Mass468.121 Da
Topological Polar Surface Area86.100 Ų
Heavy Atom Count34
Formal Charge0
Complexity813.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculateurs de solution
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