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113494-48-7 | 2,4-Pyrimidinediamine, 5-[4-chloro-3-(3,3-dimethyl-1-triazen-1-yl)phenyl]-6-ethyl-
CAS No: 113494-48-7 Catalog No: AG0008RS MDL No:
Product Description
Catalog Number:
AG0008RS
Chemical Name:
2,4-Pyrimidinediamine, 5-[4-chloro-3-(3,3-dimethyl-1-triazen-1-yl)phenyl]-6-ethyl-
CAS Number:
113494-48-7
Molecular Formula:
C14H18ClN7
Molecular Weight:
319.7926
IUPAC Name:
5-[4-chloro-3-(dimethylaminodiazenyl)phenyl]-6-ethylpyrimidine-2,4-diamine
InChI:
InChI=1S/C14H18ClN7/c1-4-10-12(13(16)19-14(17)18-10)8-5-6-9(15)11(7-8)20-21-22(2)3/h5-7H,4H2,1-3H3,(H4,16,17,18,19)
InChI Key:
WFFVOYIYKQPAFS-UHFFFAOYSA-N
SMILES:
CCc1nc(N)nc(c1c1ccc(c(c1)N=NN(C)C)Cl)N
NSC Number:
330465
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.131g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.797g/mol
Monoisotopic Mass:
319.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Further studies on 2,4-diamino-5-(2',5'-disubstituted benzyl)pyrimidines as potent and selective inhibitors of dihydrofolate reductases from three major opportunistic pathogens of AIDS. | Journal of medicinal chemistry 20030424 |
| Structural studies on bioactive compounds. 34. Design, synthesis, and biological evaluation of triazenyl-substituted pyrimethamine inhibitors of Pneumocystis carinii dihydrofolate reductase. | Journal of medicinal chemistry 20010802 |
| Structural studies on bioactive compounds. 28. Selective activity of triazenyl-substituted pyrimethamine derivatives against Pneumocystis carinii dihydrofolate reductase. | Journal of medicinal chemistry 19970606 |
| New drug developments for opportunistic infections in immunosuppressed patients: Pneumocystis carinii. | Journal of medicinal chemistry 19951124 |
| Evaluation of potent inhibitors of dihydrofolate reductase in a culture model for growth of Pneumocystis carinii. | Antimicrobial agents and chemotherapy 19951101 |
| Identification of highly potent and selective inhibitors of Toxoplasma gondii dihydrofolate reductase. | Antimicrobial agents and chemotherapy 19930901 |
| Pneumocystis carinii dihydrofolate reductase used to screen potential antipneumocystis drugs. | Antimicrobial agents and chemotherapy 19910701 |
| Inhibition of Pneumocystis dihydrofolate reductase by analogs of pyrimethamine, methotrexate and trimetrexate. | The Journal of protozoology 19910101 |
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