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Chemical structure of 4′-DTMP

GC72685

4′-DTMP

Also known as 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenol

4 '-DTMP is a DHFR inhibitor with Ki of 5·1 nM (DHFRWT) and 34·3 nM (DHFRL28R), respectively

ChemicalCAS21253-58-7MW276.29FormulaC13H16N4O3
CAS number
21253-58-7
Molecular weight
276.29
Formula
C13H16N4O3
Solubility
DMSO ： 50 mg/mL (180·97 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
HPOCGNHBIFZCAN-UHFFFAOYSA-N
Catalogue number
GC72685
Brand
GLPBIO
Computed properties PubChem CID 10423570 · XLogP 0.4 · TPSA 117 Ų · H-bond donors 3
XLogP
0.4
TPSA
117 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
20

SMILES COC1=CC(=CC(=C1O)OC)CC2=CN=C(N=C2N)N

Computed descriptors from PubChem (CID 10423570), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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