Pemetrexed - 10mM in Water , GAR transformylase inhibitor, CAS No.150399-23-8, GAR transformylase inhibitor

CAS: 150399-23-8 Cat. No.: P421773 Fórmula: C20H19N5Na2O6 Peso molecular: 471.37 Número CE: 604-733-2
Disponível para encomenda
GRADE & PURITY 10mM in Water
Synonyms
CAS-150399-23-8 | Pemetrexed Disodium is known as a Thymidylate synthase inhibitor. | PEMETREXED DISODIUM [USP MONOGRAPH] | AC-1326 | EX-A836 | s1135 | UNII-2PKU919BA9 | LY231514 disodium | HMS1791H16 | L-Glutamic acid, N-(4-(2-(2-amino-4,7-dihydro-4-oxo-
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
Alemanha (EU)
USA*
Price
Qty
1ml
P421773-1ml
—
1 Em stock

143,09€

209,91€
Gravar 66,82 € (31.83%)
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Why this grade

10mM in Water 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.

📚

Literature proof

Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Visão geral

An inhibitor of TS, DHFR and GARFT.

Specifications

Sinónimos
CAS-150399-23-8 | Pemetrexed Disodium is known as a Thymidylate synthase inhibitor. | PEMETREXED DISODIUM [USP MONOGRAPH] | AC-1326 | EX-A836 | s1135 | UNII-2PKU919BA9 | LY231514 disodium | HMS1791H16 | L-Glutamic acid, N-(4-(2-(2-amino-4,7-dihydro-4-oxo-
Especificações e pureza
10mM in Water
Mecanismos bioquímicos e fisiológicos
Antifolate agent. Folic acid analog. Competitive thymidylate synthase, dihydrofolate reductase and glycinamide ribonucleotide formyltransferase inhibitor. Shows potent activity against CNS malignancies in vivo.
Condições de armazenamento de armazenamento
Store at -80°C
Enviado em
Dry ice packs + Cold packs
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Tipo de ação
INHIBITOR
Mecanismo de ação
GAR transformylase inhibitor
Nomes e identificadores
Pubchem Sid528766743
Sorrisos canónicosC1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]
IUPAC Namedisodium;(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate
InChIKeyNYDXNILOWQXUOF-GXKRWWSZSA-L
INCHI1S/C20H21N5O6.2Na/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);;/q;2*+1/p-2/t13-;;/m0../s1
SMILES isoméricas C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]
Peso molecular 471.37
Reaxy-Rn 19326742
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19326742&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

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClasseCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives
Direct ParentGlutamic acid and derivatives
Alternative Parents Hippuric acids  N-acyl-alpha amino acids  Pyrrolo[2,3-d]pyrimidines  Benzoyl derivatives  Aminopyrimidines and derivatives  Pyrimidones  Substituted pyrroles  Dicarboxylic acids and derivatives  Vinylogous amides  Heteroaromatic compounds  Amino acids  Secondary carboxylic acid amides  Carboxylic acid salts  Carboxylic acids  Azacyclic compounds  Organic zwitterions  Organopnictogen compounds  Carbonyl compounds  Primary amines  Organic sodium salts  Hydrocarbon derivatives  Organic oxides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Glutamic acid or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Hippuric acid or derivatives - Benzamide - Pyrrolo[2,3-d]pyrimidine - Benzoic acid or derivatives - Pyrrolopyrimidine - Benzoyl - Aminopyrimidine - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Substituted pyrrole - Benzenoid - Dicarboxylic acid or derivatives - Pyrrole - Vinylogous amide - Heteroaromatic compound - Amino acid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid salt - Azacycle - Organic alkali metal salt - Carboxylic acid - Organoheterocyclic compound - Organic salt - Organic oxygen compound - Organic sodium salt - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic zwitterion - Primary amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
DescriçãoThis 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 organic sodium salt
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
TYMS Tclin Thymidylate synthase (1651 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BGC-823 (3035 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HL-60 (67320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-3 (48710 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SGC-7901 (2773 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMMC-7721 (5516 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GES1 (603 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
L02 (4864 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
Peso molecular471.400 g/mol
XLogP3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass471.113 Da
Monoisotopic Mass471.113 Da
Topological Polar Surface Area193.000 Ų
Heavy Atom Count33
Formal Charge0
Complexity737.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count3
Citations of This Product
Referências
1. Shuojiong Pan, Tianyu Li, Yizheng Tan, Huaping Xu.  (2021)  Selenium-containing nanoparticles synergistically enhance Pemetrexed&NK cell-based chemoimmunotherapy.  BIOMATERIALS,      [PMID:34922271] [10.1016/j.biomaterials.2021.121321]
2. Kui Wang, Qi-Qi Wang, Mi-Ni Wang, Siyang Xing, Bolin Zhu, Ze-Hao Zhang.  (2019)  Supramolecular Amphiphilic Assembly Formed by the Complexation of Calixpyridinium with Alimta.  LANGMUIR,      [PMID:31203624] [10.1021/acs.langmuir.9b01336]
Calculadoras de soluções
Revisões

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