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

89 Citations COA COA
    Grade & Purity:
  • ≥99%
In stock
Item Number
M111239
Grouped product items
SKU Size
Availability
 Price Qty
M111239-250mg
250mg
3
$9.90
M111239-1g
1g
2
$24.90
M111239-5g
5g
2
$80.90
M111239-25g
25g
3
$280.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet
View related series
Antibiotic (1629)

Basic Description

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
Specifications & Purity ≥99%
Biochemical and Physiological Mechanisms 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
Storage Temp Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

A cell cycle arrest agent that inhibits DHFR and modulates inflammation

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Pteridines and derivatives
Subclass Pterins and derivatives
Intermediate Tree Nodes Pteroic acids and derivatives - Folic acids and derivatives
Direct Parent Folic 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 Framework Aromatic 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
Description This 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

Product Properties

ALogP -1.8

Associated Targets(Human)

DHFR Tclin Dihydrofolate reductase (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
TYMS Tclin Thymidylate synthase (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
FOLR2 Tchem Folate receptor beta (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
FOLR1 Tclin Folate receptor alpha (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
HMGB1 Tchem High mobility group protein B1 (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
SLC19A1 Tchem Folate transporter 1 (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
SLC46A1 Tchem Proton-coupled folate transporter (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ATIC Tchem Bifunctional purine biosynthesis protein PURH (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
NCOA3 Tchem Nuclear receptor coactivator 3 (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
SMPD1 Tchem Sphingomyelin phosphodiesterase (13561 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BJ (6930 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEK293 (82097 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Streptococcus (3973 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Streptococcus sp. 'group A' (3417 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ska Streptokinase A (5805 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
LMP1 Latent membrane protein 1 (726 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;hydrate
INCHI InChI=1S/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
InChIKey FPJYMUQSRFJSEW-ZOWNYOTGSA-N
Smiles CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O.O
Isomeric 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
Alternate CAS 59-05-2；6745-93-3
PubChem CID 165528
UN Number 1544
Molecular Weight 454.44 (anhydrous basis)
Beilstein 70669

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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.

17 results found

Lot Number Certificate Type Date Item
F2121208 Certificate of Analysis Apr 03, 2025 M111239
K2427189 Certificate of Analysis Mar 25, 2024 M111239
C2420333 Certificate of Analysis Mar 25, 2024 M111239
C2420334 Certificate of Analysis Mar 25, 2024 M111239
A1523009 Certificate of Analysis Oct 18, 2022 M111239
B2210118 Certificate of Analysis Feb 17, 2022 M111239
B2210133 Certificate of Analysis Feb 17, 2022 M111239
B2210134 Certificate of Analysis Feb 16, 2022 M111239
B2226220 Certificate of Analysis Jan 04, 2022 M111239
B2226263 Certificate of Analysis Jan 04, 2022 M111239
I2307031 Certificate of Analysis Jan 04, 2022 M111239
C2412040 Certificate of Analysis Jan 04, 2022 M111239
A2423031 Certificate of Analysis Jan 04, 2022 M111239
C2508159 Certificate of Analysis Jan 04, 2022 M111239
B2520042 Certificate of Analysis Jan 04, 2022 M111239
B2226203 Certificate of Analysis Jan 04, 2022 M111239
B2226245 Certificate of Analysis Jan 04, 2022 M111239

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Chemical and Physical Properties

Solubility Easily soluble in dilute alkali, acid or alkali metal carbonate solutions, slightly soluble in dilute hydrochloric acid, almost insoluble in water, ethanol, chloroform, and ether
Sensitivity Light & Moisture sensitive
Specific Rotation[α] 21 ° (C=0.1, 1N NaOH)
Melt Point(°C) 205℃
Molecular Weight 472.500 g/mol
XLogP3
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 9
Exact Mass 472.182 Da
Monoisotopic Mass 472.182 Da
Topological Polar Surface Area 212.000 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 704.000
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 2

Solution Calculators

Reviews

Customer Reviews

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