4-DeMethyltriMethopriM

Names

[ Name ]:
4-DeMethyltriMethopriM

[Synonym ]:
4-[(2,4-Diamino-5-pyrimidinyl)methyl]-2,6-dimethoxyphenol
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenol
Phenol, 4-[(2,4-diamino-5-pyrimidinyl)methyl]-2,6-dimethoxy-

Biological Activity

[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].

[Related Catalog]:

Research Areas >> Infection

[Target]

Ki: 5.1 nM (WT), 34.3 nM (L28R)[1]

[References]

[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.

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
567.4±60.0 °C at 760 mmHg

[ Molecular Formula ]:
C₁₃H₁₆N₄O₃

[ Molecular Weight ]:
276.29

[ Flash Point ]:
296.9±32.9 °C

[ Exact Mass ]:
276.122253

[ LogP ]:
-0.09

[ Vapour Pressure ]:
0.0±1.6 mmHg at 25°C

[ Index of Refraction ]:
1.652

Related Compounds

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