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159210-76-1 | Pyrido[2,3-d]pyrimidine-2,4-diamine, 6-[[(2,5-dimethoxyphenyl)amino]methyl]-5-methyl-
CAS No: 159210-76-1 Catalog No: AG001QK2 MDL No:
Product Description
Catalog Number:
AG001QK2
Chemical Name:
Pyrido[2,3-d]pyrimidine-2,4-diamine, 6-[[(2,5-dimethoxyphenyl)amino]methyl]-5-methyl-
CAS Number:
159210-76-1
Molecular Formula:
C17H20N6O2
Molecular Weight:
340.3797
IUPAC Name:
6-[(2,5-dimethoxyanilino)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
InChI:
InChI=1S/C17H20N6O2/c1-9-10(8-21-16-14(9)15(18)22-17(19)23-16)7-20-12-6-11(24-2)4-5-13(12)25-3/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
InChI Key:
OOAXIFSPTMWLFE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1NCc1cnc2c(c1C)c(N)nc(n2)N)OC
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.165g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
340.387g/mol
Monoisotopic Mass:
340.165g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| CoMFA and CoMSIA analyses of Pneumocystis carinii dihydrofolate reductase, Toxoplasma gondii dihydrofolate reductase, and rat liver dihydrofolate reductase. | Journal of medicinal chemistry 20050310 |
| Interactions of 5-deazapteridine derivatives with Mycobacterium tuberculosis and with human dihydrofolate reductases. | Journal of biomolecular structure & dynamics 20041001 |
| Pharmacophore mapping of a series of 2,4-diamino-5-deazapteridine inhibitors of Mycobacterium avium complex dihydrofolate reductase. | Journal of medicinal chemistry 20020103 |
| Antimycobacterial activities of 2,4-diamino-5-deazapteridine derivatives and effects on mycobacterial dihydrofolate reductase. | Antimicrobial agents and chemotherapy 20001001 |
| In vitro activities of several diaminomethylpyridopyrimidines against Mycobacterium avium complex. | Antimicrobial agents and chemotherapy 19981201 |
| Susceptibilities of Mycobacterium tuberculosis and Mycobacterium avium complex to lipophilic deazapteridine derivatives, inhibitors of dihydrofolate reductase. | The Journal of antimicrobial chemotherapy 19981201 |
| Screening of compounds for antimicrosporidial activity in vitro. | Folia parasitologica 19980101 |
| Synthesis and biological evaluation of nonclassical 2,4-diamino-5-methylpyrido[2,3-d]pyrimidines with novel side chain substituents as potential inhibitors of dihydrofolate reductases. | Journal of medicinal chemistry 19970214 |
| Lipophilic antifolates as agents against opportunistic infections. 1. Agents superior to trimetrexate and piritrexim against Toxoplasma gondii and Pneumocystis carinii in in vitro evaluations. | Journal of medicinal chemistry 19960315 |
| 6-substituted 2,4-diamino-5-methylpyrido[2,3-d]pyrimidines as inhibitors of dihydrofolate reductases from Pneumocystis carinii and Toxoplasma gondii and as antitumor agents. | Journal of medicinal chemistry 19950512 |
| Lipophilic antifolates as candidates against opportunistic infections. | Advances in experimental medicine and biology 19930101 |
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