N4-Benzoylcytosine - CAS 26661-13-2

Name: N4-Benzoylcytosine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB019337
Product Name:	N4-Benzoylcytosine
CAS:	26661-13-2
Synonyms:	N-(2-oxo-1H-pyrimidin-6-yl)benzamide

Technical Data

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Computed Properties

IUPAC Name:	N-(2-oxo-1H-pyrimidin-6-yl)benzamide
Description:	N4-Benzoylcytosine (CAS# 26661-13-2) is a reactant in the synthesis of 1',2'-cyclopentyl nucleosides as potential antiviral agents.
Molecular Weight:	215.21
Molecular Formula:	C11H9N3O2
Canonical SMILES:	C1=CC=C(C=C1)C(=O)NC2=CC=NC(=O)N2
InChI:	InChI=1S/C11H9N3O2/c15-10(8-4-2-1-3-5-8)13-9-6-7-12-11(16)14-9/h1-7H,(H2,12,13,14,15,16)
InChI Key:	XBDUZBHKKUFFRH-UHFFFAOYSA-N
Melting Point:	>300 °C (dec.)
Purity:	95 %
Density:	1.33 g/cm³
Appearance:	Solid
MDL:	MFCD00239434
LogP:	1.09520

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate

GHS Hazard Statement:	H302 (95.35%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021211928-A1	Compositions and methods of inhibiting severe acute respiratory syndrome coronavirus 2 (sars-cov-2)	20200417
WO-2021202788-A2	Modified oligomeric compounds and uses thereof	20200403
WO-2021202557-A1	Spherical nucleic acids (snas) for regulation of frataxin	20200330
WO-2021195446-A2	Methods and compositions for restoring stmn2 levels	20200325
WO-2021195295-A1	Bifunctional molecules and methods of using thereof	20200324

PMID	Publication Date	Title	Journal
22530902	20120501	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))
21917363	20111101	Branched-chain C-cyano pyranonucleosides: synthesis of 3'-C-cyano & 3'-C-cyano-3'-deoxy pyrimidine pyranonucleosides as novel cytotoxic agents	European journal of medicinal chemistry
21330014	20110401	Synthesis and biological evaluation of unsaturated keto and exomethylene D-arabinopyranonucleoside analogs: novel 5-fluorouracil analogs that target thymidylate synthase	European journal of medicinal chemistry
20674371	20100901	Novel nucleosides as potent influenza viral inhibitors	Bioorganic & medicinal chemistry
20018340	20100401	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

Complexity:	354
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.069476538
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	215.069476538
Rotatable Bond Count:	2
Topological Polar Surface Area:	70.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3