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4005-49-6 | N-(5H-Purin-6-yl)Benzamide
CAS No: 4005-49-6 Catalog No: AG0035AL MDL No:MFCD00037927
Product Description
Catalog Number:
AG0035AL
Chemical Name:
N-(5H-Purin-6-yl)Benzamide
CAS Number:
4005-49-6
Molecular Formula:
C12H9N5O
Molecular Weight:
239.2328
MDL Number:
MFCD00037927
IUPAC Name:
N-(7H-purin-6-yl)benzamide
InChI:
InChI=1S/C12H9N5O/c18-12(8-4-2-1-3-5-8)17-11-9-10(14-6-13-9)15-7-16-11/h1-7H,(H2,13,14,15,16,17,18)
InChI Key:
QQJXZVKXNSFHRI-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NC1=NC=NC2=NC=NC12
UNII:
7BQB2WI1II
NSC Number:
98641
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.081g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.238g/mol
Monoisotopic Mass:
239.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of 3'-C-ethynyl and 3'-C-(1,4-disubstituted-1,2,3-triazolo) double-headed pyranonucleosides. | Medicinal chemistry (Shariqah (United Arab Emirates)) 20120501 |
| Synthesis of 4,6-dideoxy-3-fluoro-2-keto-beta-D-glucopyranosyl analogues of 5-fluorouracil, N6-benzoyl adenine, uracil, thymine, N4-benzoyl cytosine and evaluation of their antitumor activities. | Bioorganic chemistry 20100401 |
| Unsaturated dideoxy fluoro-ketopyranosyl nucleosides as new cytostatic agents: a convenient synthesis of 2,6-dideoxy-3-fluoro-4-keto-beta-D-glucopyranosyl analogues of uracil, 5-fluorouracil, thymine, N4-benzoyl cytosine and N6-benzoyl adenine. | European journal of medicinal chemistry 20091101 |
| One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening. | Journal of medicinal chemistry 20090723 |
| Unsaturated fluoro-ketopyranosyl nucleosides: synthesis and biological evaluation of 3-fluoro-4-keto-beta-d-glucopyranosyl derivatives of N(4)-benzoyl cytosine and N(6)-benzoyl adenine. | European journal of medicinal chemistry 20080201 |
| Preferential inhibition of xanthine oxidase by 2-amino-6-hydroxy-8-mercaptopurine and 2-amino-6-purine thiol. | BMC biochemistry 20070101 |
| An enzymatic transglycosylation of purine bases. | Nucleosides, nucleotides & nucleic acids 20070101 |
| Short synthesis of octosyl nucleosides. | Organic letters 20060330 |
| 6-(N-benzoylamino)purine as a novel and potent inhibitor of xanthine oxidase: inhibition mechanism and molecular modeling studies. | Journal of enzyme inhibition and medicinal chemistry 20050801 |
| 2'-chloro-2',3'-dideoxy-3'-fluoro-d-ribonucleosides: synthesis, stereospecificity, some chemical transformations, and conformational analysis. | The Journal of organic chemistry 20030725 |
| Stereoselective synthesis of the beta-anomer of 4'-thionucleosides based on electrophilic glycosidation to 4-thiofuranoid glycals. | The Journal of organic chemistry 20020823 |
| Diastereocontrolled synthesis of dinucleoside phosphorothioates using a novel class of activators, dialkyl(cyanomethyl)ammonium tetrafluoroborates. | Journal of the American Chemical Society 20020508 |
| Synthesis and cytotoxicity of cyanoborane adducts of n6-benzoyladenine and 6-triphenylphosphonylpurine. | Metal-based drugs 20020101 |
| The adenine derivative of alpha-L-LNA (alpha-L-ribo configured locked nucleic acid): synthesis and high-affinity hybridization towards DNA, RNA, LNA and alpha-L-LNA complementary sequences. | Bioorganic & medicinal chemistry letters 20010409 |
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