Pemetrexed - Moligand™, 10mM in DMSO , Inhibitor of dihydrofolate reductase;Inhibitor of phosphoribosylglycinamide formyltransferase; phosphoribosylglycinamide synthetase; phosphoribosylaminoimidazole synthetase;Inhibitor of thymidylate synthetase, CAS No, Inhibitor of dihydrofolate reductase;Inhibitor of phosphoribosylglycinamide formyltransferase; phosphoribosylglycinamide synthetase; phosphoribosylaminoimidazole synthetase;Inhibitor of thymidylate synthetase

CAS: 137281-23-3 Cat. No.: P421412 Peso molecular: 427.41 Número EC: 680-625-9

2 Citations COA

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Pemetrexed - Moligand™, 10mM in DMSO CAS No(137281-23-3) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY Moligand™ ? 10mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Preguntas frecuentes y artículos Citations of This Product Referencias Calculadoras de soluciones Reseñas

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Why this grade

Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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.

Descripción general

Pemetrexed is a novel antifolate and antimetabolite for TS, DHFR and GARFT with Ki of 1.3 nM, 7.2 nM and 65 nM, respectively.

Specifications

Sinónimos

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

Especificaciones y pureza

Moligand™, 10mM in DMSO

Mecanismos bioquímicos y fisiológicos

High affinity dihydrofolate reductase inhibitor (Ki= 7 nM). Also inhibits thymidylate synthase, AICART and glycinamide ribonucleotide formyltransferase (Kivalues are 109 nM, and 3.5 μM and 9.3 μM, respectively). Indirectly activates AMPK. Inhibits prolife

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

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

Nombres e identificadores

Sonrisas canónicas	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
Isómeros SMILES	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O
RTECS	LZ9950100
CAS alternativo	137281-23-3
Número NSC	698037
Términos de entrada MeSH	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
Peso molecular	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
  - Clase Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Glutamic acid and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Clase	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
Descripción	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

Estructura 3D

Objetivos asociados (humanos)

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)

Sensibilidad	Heat Sensitive
Peso molecular	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

Why this grade

Storage & shipping

Quality documents

Literature proof

Descripción general

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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