N6-Benzyl Adenosine - CAS 4294-16-0
Catalog:
BB025284
Product Name:
N6-Benzyl Adenosine
CAS:
4294-16-0
Synonyms:
N6-Benzyladenosine; 6-Benzylaminopurine Riboside; N-(Phenylmethyl)adenosine; 6-(Benzylamino)-9-β-D-ribofuranosylpurine; 6-Benzyladenosine; NSC 70423
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BB025284
10 g
$439
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IUPAC Name: (2R,3R,4S,5R)-2-[6-(benzylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Description: A selective A1 adenosine receptor agonist.
Molecular Weight: 357.36
Molecular Formula: C17H19N5O4
Canonical SMILES: C1=CC=C(C=C1)CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O
InChI: InChI=1S/C17H19N5O4/c23-7-11-13(24)14(25)17(26-11)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-25H,6-7H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1
InChI Key: MRPKNNSABYPGBF-LSCFUAHRSA-N
Boiling Point: 689.3±65.0 °C at 760 mmHg
Melting Point: 180-183 °C
Purity: 98 %
Density: 1.62±0.1 g/cm3
Solubility: Soluble in DMSO (Slightly), Methanol (Slightly, Sonicated)
Appearance: White to off-white solid
Storage: Store at 2-8 °C under inert atmosphere
LogP: 0.12290
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PMID Publication Date Title Journal
21965753 20111001 Effects of cytokinins, cytokinin ribosides and their analogs on the viability of normal and neoplastic human cells Anticancer research
20637856 20101201 Halogenation of N⁶-benzyladenosine decreases its cytotoxicity in human leukemia cells Toxicology in vitro : an international journal published in association with BIBRA
21035348 20101201 N⁶-Alkyladenosines: Synthesis and evaluation of in vitro anticancer activity Bioorganic & medicinal chemistry
20553699 20100801 Anticancer activity of natural cytokinins: a structure-activity relationship study Phytochemistry
18796721 20081001 Characterization of pharmacologically active compounds that inhibit poliovirus and enterovirus 71 infectivity The Journal of general virology
Complexity: 466
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 4
Defined Bond Stereocenter Count: 0
Exact Mass: 357.1437041
Formal Charge: 0
Heavy Atom Count: 26
Hydrogen Bond Acceptor Count: 8
Hydrogen Bond Donor Count: 4
Isotope Atom Count: 0
Monoisotopic Mass: 357.1437041
Rotatable Bond Count: 5
Topological Polar Surface Area: 126
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1.1
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