Pemetrexed - Moligand™, ≥98% , Inhibitor of dihydrofolate reductase;Inhibitor of phosphoribosylglycinamide formyltransferase; phosphoribosylglycinamide synthetase; phosphoribosylaminoimidazole synthetase;Inhibitor of thymidylate synthetase, CAS No.137281-, Inhibitor of dihydrofolate reductase;Inhibitor of phosphoribosylglycinamide formyltransferase; phosphoribosylglycinamide synthetase; phosphoribosylaminoimidazole synthetase;Inhibitor of thymidylate synthetase

Name: Pemetrexed - Moligand™, ≥98% , Inhibitor of dihydrofolate reductase;Inhibitor of phosphoribosylglycinamide formyltransferase; phosphoribosylglycinamide synthetase; phosphoribosylaminoimidazole synthetase;Inhibitor of thymidylate synthetase, CAS No.137281-, Inhibitor of dihydrofolate reductase;Inhibitor of phosphoribosylglycinamide formyltransferase; phosphoribosylglycinamide synthetase; phosphoribosylaminoimidazole synthetase;Inhibitor of thymidylate synthetase
SKU: P125303
Availability: InStock

CAS: 137281-23-3 Cat. No.: P125303 Summenformel: C₂₀H₂₁N₅O₆ Molekulargewicht: 427.41 EG-Nummer: 680-625-9

2 Citations COA

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GRADE & PURITY Moligand™ ? ≥98%

Synonyms

GTPL5443 | N-({4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)-L-glutamic acid | Pemetrexed (TN) | (2S)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid | BP164240

Storage

Lagerung bei -20°C

Shipped In

Eistruhe + Eispads

Übersicht Specifications Namen und Kennungen Documentation Advanced Data Taxonomic Classification 3D-Struktur Zugehörige Ziele (menschlich) Zugehörige Ziele (nicht menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften FAQs und Artikel Citations of This Product Lösungsrechner Bewertungen Häufig gestellte Fragen

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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

Lagerung bei -20°C Ships Eistruhe + Eispads 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Übersicht

Pemetrexed ist ein neuartiges Antifolat und Antimetabolit für TS, DHFR und GARFT mit Ki-Werten von 1,3 nM, 7,2 nM bzw. 65 nM.

Specifications

Synonyme

Spezifikationen & Reinheit

Moligand™, ≥98%

Biochemische und physiologische Mechanismen

Hochaffiner Dihydrofolatreduktase-Inhibitor (Ki= 7 nM). Hemmt auch Thymidylat-Synthase, AICART und Glycinamid-Ribonukleotid-Formyltransferase (K-Werte 109 nM, 3,5 μM bzw. 9,3 μM). Aktiviert indirekt die AMPK. Hemmt Prolife

Storage

Lagerung bei -20°C

Verschickt in

Eistruhe + Eispads

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Inhibitor of dihydrofolate reductase;Inhibitor of phosphoribosylglycinamide formyltransferase; phosphoribosylglycinamide synthetase; phosphoribosylaminoimidazole synthetase;Inhibitor of thymidylate synthetase

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504773280

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773280

Kanonisches Lächeln

C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)NC(CCC(=O)O)C(=O)O

IUPAC Name

(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid

InChIKey

WBXPDJSOTKVWSJ-ZDUSSCGKSA-N

INCHI

1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1

Isomere SMILES

C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O

RTECS

LZ9950100

Alternative CAS-Nummer

137281-23-3

NSC-Nummer

698037

MeSH-Eintrag

231,514, LY;231514, LY;ALIMTA;Disodium, Pemetrexed;LY 231,514;LY 231514;LY-231,514;LY-231514;LY231514;MTA;N-(4-(2-(2-amino-3,4-dihydro-4-oxo-7H-pyrrolo(2,3-d)pyrimdin-5-yl)ethyl)benzoyl)glutamic acid;pemetrexed;pemetrexed disodium

Molekulargewicht

427.41

Reaxy-Rn

13572453

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13572453&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

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Klasse Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Ebene5 Amino acids and derivatives
        Ebene6 Alpha amino acids and derivatives
        Ebene7 Glutamic acid and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Klasse	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 Pyrrolo[2,3-d]pyrimidines Benzoyl derivatives Pyrimidones Aminopyrimidines and derivatives Substituted pyrroles Dicarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary amines
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Glutamic acid or derivatives - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Pyrrolopyrimidine - Benzamide - Pyrrolo[2,3-d]pyrimidine - Benzoic acid or derivatives - Benzoyl - Pyrimidone - Aminopyrimidine - Dicarboxylic acid or derivatives - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Amino acid - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid - Organoheterocyclic compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Beschreibung	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	pyrrolopyrimidine - N-acyl-L-glutamic acid
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

3D-Struktur

Zugehörige Ziele (menschlich)

DHFR Tclin Dihydrofolate reductase (5 Activities)

Discover Target: DHFR

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

GART Tclin Trifunctional purine biosynthetic protein adenosine-3 (8 Activities)

Discover Target: GART

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

TYMS Tclin Thymidylate synthase (3 Activities)

Discover Target: TYMS

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

FOLR2 Tchem Folate receptor beta (6 Activities)

Discover Target: FOLR2

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

FOLR1 Tclin Folate receptor alpha (6 Activities)

Discover Target: FOLR1

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

SLC19A1 Tchem Folate transporter 1 (5 Activities)

Discover Target: SLC19A1

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

SLC46A1 Tchem Proton-coupled folate transporter (10 Activities)

Discover Target: SLC46A1

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

DHFR Tclin Dihydrofolate reductase (3072 Activities)

Discover Target: DHFR

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

TYMS Tclin Thymidylate synthase (1651 Activities)

Discover Target: TYMS

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

FOLR1 Tclin Folate receptor alpha (184 Activities)

Discover Target: FOLR1

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

SLC19A1 Tchem Folate transporter 1 (134 Activities)

Discover Target: SLC19A1

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

ATIC Tchem AICAR transformylase (241 Activities)

Discover Target: ATIC

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

FPGS Tchem Folylpoly-gamma-glutamate synthetase (250 Activities)

Discover Target: FPGS

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

GART Tclin GAR transformylase (531 Activities)

Discover Target: GART

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

FOLR2 Tchem Folate receptor beta (148 Activities)

Discover Target: FOLR2

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

Homo sapiens (32628 Activities)

Lot Number	Certificate Type	Datum	Artikel
D2616513	Certificate of Analysis	Apr 23, 2026	P125303
D2616514	Certificate of Analysis	Apr 23, 2026	P125303
D2623752	Certificate of Analysis	Apr 23, 2026	P125303
A2629138	Certificate of Analysis	Jan 31, 2026	P125303
A2111087	Certificate of Analysis	Jul 09, 2024	P125303
C1502003	Certificate of Analysis	Jul 09, 2024	P125303
E2411053	Certificate of Analysis	May 15, 2024	P125303
F1617020	Certificate of Analysis	Oct 18, 2023	P125303

Löslichkeit	Solvent:DMSO, Max Conc. mg/mL: 42.74, Max Conc. mM: 100
Empfindlichkeit	Heat Sensitive
Molekulargewicht	427.400 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Exact Mass	427.149 Da
Monoisotopic Mass	427.149 Da
Topological Polar Surface Area	187.000 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	748.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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

Storage & shipping

Quality documents

Literature proof

Übersicht

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

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