4′-DTMP

• Description:

  4 '-DTMP is a DHFR inhibitor with Ki of 5.1 nM (DHFRWT) and 34.3 nM (DHFRL28R), respectively. 4 '-DTMP carries a polar modification that induces additional local interactions with the enzyme. In particular, the hairpin structure on the M20 ring is related to the internal communication of the DHFR. 4 '-DTMP has potential inhibition of E.coli[1].

• UNSPSC:

  12352005

• Hazard Statement:

  H302, H315, H319, H335

• Target:

  Dihydrofolate reductase (DHFR)

• Type:

  Reference compound

• Related Pathways:

  Metabolic Enzyme/Protease

• Applications:

  COVID-19-immunoregulation

• Field of Research:

  Infection

• Assay Protocol:

  https://www.medchemexpress.com/4-dtmp.html

• Concentration:

  10mM

• Purity:

  97.85

• Solubility:

  DMSO : 50 mg/mL (ultrasonic)

• Smiles:

  OC1=C(OC)C=C(CC2=CN=C(N)N=C2N)C=C1OC

• Molecular Formula:

  C13H16N4O3

• Molecular Weight:

  276.30

• Precautions:

  H302, H315, H319, H335

• References & Citations:

  [1]Cetin E, et al. Kinetic Barrier to Enzyme Inhibition Is Manipulated by Dynamical Local Interactions in E. coli DHFR. J Chem Inf Model. 2023 Aug 14;63 (15) :4839-4849.

• Shipping Conditions:

  Room Temperature

• Storage Conditions:

  -20°C, 3 years; 4°C, 2 years (Powder)

• Scientific Category:

  Reference compound1

• Clinical Information:

  No Development Reported

• CAS Number:

  [21253-58-7]