Methotrexate disodium salt - 10mM in Water , Dihydrofolate reductase inhibitor, CAS No.7413-34-5, Dihydrofolate reductase inhibitor

CAS: 7413-34-5 Cat. No.: M425767 Formula: C₂₀H₂₀N₈Na₂O₅ Peso molecolare: 498.4 Numero EC: 231-022-0

GRADE & PURITY 10mM in Water

Synonyms

Methotrexate disodium salt|7413-34-5|methotrexate disodium|METHOTREXATE SODIUM|Sodium methotrexate|Disodium methotrexate|MTX disodium|Ledertrexate|Trexall|Amethopterin sodium|Abitrexate|Mexate|Mexate-Aq Preserved|Methotrexat dinatrium|Methotrexate sodium

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Application

Inhibits the metabolism of folic acid     

Specifications

Sinonimi

Methotrexate disodium salt | 7413-34-5 | methotrexate disodium | METHOTREXATE SODIUM | Sodium methotrexate | Disodium methotrexate | MTX disodium | Ledertrexate | Trexall | Amethopterin sodium | Abitrexate | Mexate | Mexate-Aq Preserved | Methotrexat dinatrium | Methotrexate sodium

Specifiche e purezza

10mM in Water

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Meccanismo d'azione

Dihydrofolate reductase inhibitor

Nomi e identificatori

Pubchem Sid

528773520

Sorrisi canonici

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

IUPAC Name

disodium;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate

InChIKey

DASQOOZCTWOQPA-GXKRWWSZSA-L

INCHI

1S/C20H22N8O5.2Na/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);;/q;2*+1/p-2/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-].[Na+].[Na+]

RTECS

MA1232000

Peso molecolare

498.4

Reaxy-Rn

4644426

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4644426&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pteridines and derivatives
      • Subclass Pterins and derivatives
        • Level5 Pteroic acids and derivatives
          • Level6 Folic acids and derivatives
            • Level7 Folic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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 Aralkylamines Aminopyrimidines and derivatives Imidolactams Dicarboxylic acids and derivatives Pyrazines Heteroaromatic compounds Carboxylic acid salts Secondary carboxylic acid amides Amino acids Carboxylic acids Azacyclic compounds Primary amines Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Organic sodium salts Organic zwitterions
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Folic acid - Glutamic acid or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Hippuric acid or derivatives - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzoyl - Aralkylamine - Aminopyrimidine - Imidolactam - Pyrazine - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Dicarboxylic acid or derivatives - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carboxamide group - Carboxylic acid salt - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Primary amine - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic zwitterion - Organopnictogen compound - Organic oxygen compound - Organic oxide - Organic sodium salt - Organic salt - Aromatic heteropolycyclic compound
• Descrizione: 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: organic sodium salt

Data sources

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 823° C
• Punto di fusione (°C): 212-216° C
• Peso molecolare: 498.400 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 498.135 Da
• Monoisotopic Mass: 498.135 Da
• Topological Polar Surface Area: 216.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 693.000
• 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: 3

XLogP3