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70583-39-0 | 2,4-PTERIDINEDIAMINE, 6-[(1-NAPHTHALENYLAMINO)-METHYL]-
CAS No: 70583-39-0 Catalog No: AG005HR4 MDL No:
Product Description
Catalog Number:
AG005HR4
Chemical Name:
2,4-PTERIDINEDIAMINE, 6-[(1-NAPHTHALENYLAMINO)-METHYL]-
CAS Number:
70583-39-0
Molecular Formula:
C17H15N7
Molecular Weight:
317.3479
IUPAC Name:
6-[(naphthalen-1-ylamino)methyl]pteridine-2,4-diamine
InChI:
InChI=1S/C17H15N7/c18-15-14-16(24-17(19)23-15)21-9-11(22-14)8-20-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9,20H,8H2,(H4,18,19,21,23,24)
InChI Key:
QVHFSGMRVQZGMC-UHFFFAOYSA-N
SMILES:
Nc1nc(N)c2c(n1)ncc(n2)CNc1cccc2c1cccc2
NSC Number:
235777
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.139g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
317.356g/mol
Monoisotopic Mass:
317.139g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| 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 |
| 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 |
| Lipophilic antifolates as candidates against opportunistic infections. | Advances in experimental medicine and biology 19930101 |
| 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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