Name: Name:N-(9H-Purin-6-yl)benzamide
Brand: AABLOCKS
SKU: AA00357T
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00357T

Chemical Name: N-(9H-Purin-6-yl)benzamide

CAS Number: 4005-49-6

Molecular Formula: C12H9N5O

Molecular Weight: 239.2328

MDL Number: MFCD00037927

SMILES: O=C(c1ccccc1)NC1=NC=NC2=NC=NC12

NSC Number: 98641

Properties

BP: 443.7°C at 760 mmHg

Form: Solid

MP: 242-244 °C

Storage: Keep in dry area;Room Temperature;

Complexity: 305

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 18

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 2

Isotope Atom Count: 0

Rotatable Bond Count: 2

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 1.3

Literature fold

Title: Synthesis and biological evaluation of 3'-C-ethynyl and 3'-C-(1,4-disubstituted-1,2,3-triazolo) double-headed pyranonucleosides.

Journal: Medicinal chemistry (Shariqah (United Arab Emirates))20120501

Title: 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.

Journal: Bioorganic chemistry20100401

Title: 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.

Journal: European journal of medicinal chemistry20091101

Title: One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening.

Journal: Journal of medicinal chemistry20090723

Title: 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.

Journal: European journal of medicinal chemistry20080201

Title: Preferential inhibition of xanthine oxidase by 2-amino-6-hydroxy-8-mercaptopurine and 2-amino-6-purine thiol.

Journal: BMC biochemistry20070101

Title: An enzymatic transglycosylation of purine bases.

Journal: Nucleosides, nucleotides & nucleic acids20070101

Title: Short synthesis of octosyl nucleosides.

Journal: Organic letters20060330

Title: 6-(N-benzoylamino)purine as a novel and potent inhibitor of xanthine oxidase: inhibition mechanism and molecular modeling studies.

Journal: Journal of enzyme inhibition and medicinal chemistry20050801

Title: 2'-chloro-2',3'-dideoxy-3'-fluoro-d-ribonucleosides: synthesis, stereospecificity, some chemical transformations, and conformational analysis.

Journal: The Journal of organic chemistry20030725

Title: Stereoselective synthesis of the beta-anomer of 4'-thionucleosides based on electrophilic glycosidation to 4-thiofuranoid glycals.

Journal: The Journal of organic chemistry20020823

Title: Diastereocontrolled synthesis of dinucleoside phosphorothioates using a novel class of activators, dialkyl(cyanomethyl)ammonium tetrafluoroborates.

Journal: Journal of the American Chemical Society20020508

Title: Synthesis and cytotoxicity of cyanoborane adducts of n6-benzoyladenine and 6-triphenylphosphonylpurine.

Journal: Metal-based drugs20020101

Title: 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.

Journal: Bioorganic & medicinal chemistry letters20010409

4005-49-6 | N-(9H-Purin-6-yl)benzamide