4′-DTMP

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].

Product Specifications

CAS Number

[21253-58-7]

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.