Methotrexate hydrate - ≥99% , CAS No.133073-73-1

CAS: 133073-73-1 Cat. No.: M111239 Formula: C20H22N8O5·xH2O Peso molecolare: 454.44 (anhydrous basis) Beilstein Registry Number: 70669 Numero EC: 625-397-3
Disponibile su ordine
GRADE & PURITY ≥99%
Synonyms
Methotrexate hydrate, Vetec(TM) reagent grade, 98% | Methotrexate hydrate(1:x) | Methotrexate xhydrate | METHOTREXATE MONOHYDRATE [MI] | (S)-2-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)pentanedioic acid hydrate | DTXSID70217789 | L-GLU
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
★
Size
Germania (EU)
USA*
Price
Qty
250mg
M111239-250mg
—
3 Disponibile
8,59€
1g
M111239-1g
—
2 Disponibile
21,61€
5g
M111239-5g
—
2 Disponibile
70,20€
25g
M111239-25g
—
3 Disponibile
243,75€
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C,Argon charged 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 104 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Panoramica

A cell cycle arrest agent that inhibits DHFR and modulates inflammation

Specifications

Sinonimi
Methotrexate hydrate, Vetec(TM) reagent grade, 98% | Methotrexate hydrate(1:x) | Methotrexate xhydrate | METHOTREXATE MONOHYDRATE [MI] | (S)-2-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)pentanedioic acid hydrate | DTXSID70217789 | L-GLU
Specifiche e purezza
≥99%
Meccanismi biochimici e fisiologici
Methotrexate trihydrate is the hydrated form of Methotrexate. Methotrexate is a cell cycle arresting agent with varying effects. Methotrexate has been reported to arrest the cell cycle in late G1/S thus leading to the inhibition of the synthesis of DNA, R
Condizioni di conservazione di stoccaggio
Store at -20°C,Argon charged
Spedito in
Ice chest + Ice pads
Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.
Purezza
≥99%
Proprietà del prodotto
ALogP-1.8
Nomi e identificatori
Pubchem Sid508814932
Sorrisi canoniciCN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O.O
IUPAC Name(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;hydrate
InChIKeyFPJYMUQSRFJSEW-ZOWNYOTGSA-N
INCHI1S/C20H22N8O5.H2O/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);1H2/t13-;/m0./s1
Isomeri SMILES CN(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.O
CAS alternativo 59-05-2;6745-93-3
Numero UN 1544
Peso molecolare 454.44 (anhydrous basis)
Beilstein 70669

Documentazione

📋 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
ClassePteridines and derivatives
SubclassPterins and derivatives
Intermediate Tree Nodes Pteroic acids and derivatives - Folic acids and derivatives
Direct ParentFolic acids
Alternative Parents Glutamic acid and derivatives  Hippuric acids  N-acyl-alpha amino acids  Aminobenzamides  Aniline and substituted anilines  Benzoyl derivatives  Dialkylarylamines  Aminopyrimidines and derivatives  Aralkylamines  Dicarboxylic acids and derivatives  Imidolactams  Pyrazines  Heteroaromatic compounds  Secondary carboxylic acid amides  Amino acids  Carboxylic acids  Azacyclic compounds  Carbonyl compounds  Organic oxides  Primary amines  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Folic acid - Glutamic acid or derivatives - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyrimidine - Aralkylamine - Pyrimidine - Pyrazine - Benzenoid - Imidolactam - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Azacycle - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Primary amine - Amine - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
DescrizioneThis compound belongs to the class of organic compounds known as folic acids. These are heterocyclic compounds based on the 4-[(pteridin-6-ylmethyl)amino]benzoic acid skeleton conjugated with one or more L-glutamate units.
External Descriptors Not available
Struttura 3D
Modello di struttura chimica interattiva





Obiettivi associati (umani)
DHFR Tclin Dihydrofolate reductase (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TYMS Tclin Thymidylate synthase (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
FOLR2 Tchem Folate receptor beta (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
FOLR1 Tclin Folate receptor alpha (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HMGB1 Tchem High mobility group protein B1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SLC19A1 Tchem Folate transporter 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SLC46A1 Tchem Proton-coupled folate transporter (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ATIC Tchem Bifunctional purine biosynthesis protein PURH (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
NCOA3 Tchem Nuclear receptor coactivator 3 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SMPD1 Tchem Sphingomyelin phosphodiesterase (13561 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BJ (6930 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Obiettivi associati (non umani)
Streptococcus (3973 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Streptococcus sp. 'group A' (3417 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ska Streptokinase A (5805 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMP1 Latent membrane protein 1 (726 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
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.

23 results found

Lot NumberCertificate TypeDataOggetto
F2612139Certificate of AnalysisJun 22, 2026 M111239
B2226220Certificate of AnalysisDec 12, 2025 M111239
B2226263Certificate of AnalysisDec 12, 2025 M111239
J2515139Certificate of AnalysisOct 16, 2025 M111239
G2618172Certificate of AnalysisOct 16, 2025 M111239
F2121208Certificate of AnalysisApr 03, 2025 M111239
C2420333Certificate of AnalysisMar 25, 2024 M111239
K2427189Certificate of AnalysisMar 25, 2024 M111239
C2420334Certificate of AnalysisMar 25, 2024 M111239
A1523009Certificate of AnalysisOct 18, 2022 M111239
B2210118Certificate of AnalysisFeb 17, 2022 M111239
B2210133Certificate of AnalysisFeb 17, 2022 M111239
B2210134Certificate of AnalysisFeb 16, 2022 M111239
B2520042Certificate of AnalysisJan 04, 2022 M111239
C2412040Certificate of AnalysisJan 04, 2022 M111239
B2226245Certificate of AnalysisJan 04, 2022 M111239
C2508159Certificate of AnalysisJan 04, 2022 M111239
B2226203Certificate of AnalysisJan 04, 2022 M111239
I2307031Certificate of AnalysisJan 04, 2022 M111239
J2514084Certificate of AnalysisJan 04, 2022 M111239
J2515112Certificate of AnalysisJan 04, 2022 M111239
J2521125Certificate of AnalysisJan 04, 2022 M111239
A2423031Certificate of AnalysisJan 04, 2022 M111239
Proprietà chimiche e fisiche
SolubilitàEasily soluble in dilute alkali, acid or alkali metal carbonate solutions, slightly soluble in dilute hydrochloric acid, almost insoluble in water, ethanol, chloroform, and ether
SensibilitàLight & Moisture sensitive
Rotazione specifica [α]21 ° (C=0.1, 1N NaOH)
Punto di fusione (°C)205℃
Peso molecolare472.500 g/mol
XLogP3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Exact Mass472.182 Da
Monoisotopic Mass472.182 Da
Topological Polar Surface Area212.000 Ų
Heavy Atom Count34
Formal Charge0
Complexity704.000
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 Count2
Domande frequenti e articoli
Citations of This Product
Calcolatori di soluzioni
Recensioni

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