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AB52366

59-05-2 | Methotrexate

Packsize Purity Availability Price Discounted Price    Quantity
1mg 95% in stock $8.00 $5.00 -   +
1g 95% in stock $315.00 $221.00 -   +
5g 95% in stock $1,200.00 $840.00 -   +

*All products are for research use only and not intended for human or animal use.

*All prices are in USD.

Description
Catalog Number: AB52366
Chemical Name: Methotrexate
CAS Number: 59-05-2
Molecular Formula: C20H22N8O5
Molecular Weight: 454.4393
MDL Number: MFCD00150847
SMILES: OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C
NSC Number: 740

 

Computed Properties
Complexity: 704  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Heavy Atom Count: 33  
Hydrogen Bond Acceptor Count: 12  
Hydrogen Bond Donor Count: 5  
Rotatable Bond Count: 9  
XLogP3: -1.8  

 

 

Upstream Synthesis Route
  • The application of (S)-2-(4-(((2,4-Diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)pentanedioic acid in chemical synthesis plays a crucial role in the field of medicinal chemistry and pharmaceuticals. This compound serves as a key building block for the synthesis of folate-based drugs and antifolate agents. By incorporating this acid into the molecular structure of compounds, chemists can enhance their biological activity and target specific enzymes involved in diseases such as cancer and microbial infections. Additionally, the presence of the pteridine moiety in the acid provides opportunities for further diversification and modification, allowing for the development of novel drug candidates with improved pharmacological properties.
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