21253-58-7

21253-58-7 structure

Name: 4-DeMethyltriMethopriM
Chemical Name: 4-[(2,4-Diamino-5-pyrimidinyl)methyl]-2,6-dimethoxyphenol
CAS Number: 21253-58-7
Molecular Formula: C₁₃H₁₆N₄O₃
Molecular Weight: 276.29
Catalog: Research Areas Infection
Create Date: 2018-07-01 01:53:17
Modify Date: 2024-01-27 12:12:33
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].

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

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.