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13119-52-3 | Benzo[f]quinazoline-1,3-diamine, 8-bromo-
CAS No: 13119-52-3 Catalog No: AG000VP2 MDL No:
Product Description
Catalog Number:
AG000VP2
Chemical Name:
Benzo[f]quinazoline-1,3-diamine, 8-bromo-
CAS Number:
13119-52-3
Molecular Formula:
C12H9BrN4
Molecular Weight:
289.1307
IUPAC Name:
8-bromobenzo[f]quinazoline-1,3-diamine
InChI:
InChI=1S/C12H9BrN4/c13-7-2-3-8-6(5-7)1-4-9-10(8)11(14)17-12(15)16-9/h1-5H,(H4,14,15,16,17)
InChI Key:
HUHLNLWASRUHTG-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)ccc1c2c(N)nc(n1)N
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.001g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.136g/mol
Monoisotopic Mass:
288.001g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Dicyclic and tricyclic diaminopyrimidine derivatives as potent inhibitors of Cryptosporidium parvum dihydrofolate reductase: structure-activity and structure-selectivity correlations. | Antimicrobial agents and chemotherapy 20011201 |
| Identification of Cryptosporidium parvum dihydrofolate reductase inhibitors by complementation in Saccharomyces cerevisiae. | Antimicrobial agents and chemotherapy 20000401 |
| Inhibition of dihydrofolate reductases from Toxoplasma gondii, Pneumocystis carinii, and rat liver by rotationally restricted analogues of pyrimethamine and metoprine. | Drug design and discovery 19990701 |
| New drug developments for opportunistic infections in immunosuppressed patients: Pneumocystis carinii. | Journal of medicinal chemistry 19951124 |
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