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· · COA & SDS available for every product · Same-day shipping on in-stock items Pralatrexate - Moligand™, ≥98% , Dihydrofolate reductase inhibitor, CAS No.146464-95-1, Dihydrofolate reductase inhibitor
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
(2S)-2-({4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]phenyl}formamido)pentanedioic acid | CHEBI:39196 | (2S)-2-((4-((1RS)-1-((2,4-Diaminopteridin-6-yl)methyl)but-3-ynyl)benzoyl)amino)pentanedioic acid | Pralatrexate | SCHEMBL15075302 | NCGC00386226-01 |
Shipped In
Ice chest + Ice pads
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Why this grade Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview An inhibitor of DHFR (dihydrofolate reductase)
Specifications Synonyms
(2S)-2-({4-[1-(2, 4-diaminopteridin-6-yl)pent-4-yn-2-yl]phenyl}formamido)pentanedioic acid | CHEBI:39196 | (2S)-2-((4-((1RS)-1-((2, 4-Diaminopteridin-6-yl)methyl)but-3-ynyl)benzoyl)amino)pentanedioic acid | Pralatrexate | SCHEMBL15075302 | NCGC00386226-01 |
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
Pralatrexate acts an inhibitor of DHFR (dihydrofolate reductase).
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Mechanism of action
Dihydrofolate reductase inhibitor
Product Properties Names and Identifiers Canonical Smiles C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O IUPAC Name (2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl]amino]pentanedioic acid InChIKey OGSBUKJUDHAQEA-WMCAAGNKSA-N INCHI 1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14?,16-/m0/s1 Isomeric SMILES C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O Molecular Weight 477.47 Reaxy-Rn 24739382 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24739382&ln=
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 Kingdom Organic compounds Superclass Organic acids and derivatives Class Carboxylic acids and derivatives Subclass Amino acids, peptides, and analogues Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives Direct Parent Glutamic acid and derivatives Alternative Parents N-acyl-alpha amino acids Hippuric acids Pteridines and derivatives Aromatic monoterpenoids Bicyclic monoterpenoids Benzoyl derivatives Aminopyrimidines and derivatives Pyrazines Imidolactams Dicarboxylic acids and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Carboxylic acids Azacyclic compounds Acetylides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds Primary amines Molecular Framework Aromatic heteropolycyclic compounds Substituents Glutamic acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - P-cymene - Aromatic monoterpenoid - Monoterpenoid - Bicyclic monoterpenoid - Pteridine - Benzamide - Benzoic acid or derivatives - Benzoyl - Aminopyrimidine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Dicarboxylic acid or derivatives - Pyrimidine - Pyrazine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Amino acid - Acetylide - Azacycle - Organoheterocyclic compound - Carboxylic acid - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Primary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. External Descriptors terminal acetylenic compound - N-acyl-L-glutamic acid - pteridines 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in DMSO (28 mg/ml at 25 °C), water (<1 mg/ml at 25 °C), and ethanol (<1 mg/ml at 25 °C). Insoluble in chloroform. Molecular Weight 477.500 g/mol XLogP3 -0.900 Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 11 Rotatable Bond Count 10 Exact Mass 477.176 Da Monoisotopic Mass 477.176 Da Topological Polar Surface Area 207.000 Ų Heavy Atom Count 35 Formal Charge 0 Complexity 809.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 Undefined Atom Stereocenter Count 1 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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