4-DeMethyltriMethopriM

Modify Date: 2024-01-27 12:12:33

4-DeMethyltriMethopriM Structure
4-DeMethyltriMethopriM structure
Common Name 4-DeMethyltriMethopriM
CAS Number 21253-58-7 Molecular Weight 276.29
Density 1.3±0.1 g/cm3 Boiling Point 567.4±60.0 °C at 760 mmHg
Molecular Formula C13H16N4O3 Melting Point N/A
MSDS N/A Flash Point 296.9±32.9 °C

 Use of 4-DeMethyltriMethopriM


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].

 Names

Name 4-[(2,4-Diamino-5-pyrimidinyl)methyl]-2,6-dimethoxyphenol
Synonym More Synonyms

 4-DeMethyltriMethopriM 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
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

 Synonyms

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-