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CAS 1134156-53-8

:

8-Bromo-5′-O-[(4-cyanophenyl)methyl]-2′,3′-O-(1-methylethylidene)adenosine

Description:
8-Bromo-5′-O-[(4-cyanophenyl)methyl]-2′,3′-O-(1-methylethylidene)adenosine is a synthetic derivative of adenosine, characterized by the presence of a bromine atom at the 8-position and various substituents that enhance its biological activity. This compound features a 5′-O-alkyl group, specifically a 4-cyanophenylmethyl moiety, which may influence its solubility and interaction with biological targets. The 2′,3′-O-(1-methylethylidene) modification provides steric hindrance that can affect the compound's conformation and stability. As a nucleoside analog, it may exhibit unique pharmacological properties, potentially acting as an inhibitor or modulator of adenosine receptors or other related pathways. The presence of the bromine atom can also enhance lipophilicity, potentially improving membrane permeability. Overall, this compound is of interest in medicinal chemistry and pharmacology for its potential therapeutic applications, particularly in the context of diseases where adenosine signaling plays a critical role.
Formula:C21H21BrN6O4
InChI:InChI=1S/C21H21BrN6O4/c1-21(2)31-15-13(9-29-8-12-5-3-11(7-23)4-6-12)30-19(16(15)32-21)28-18-14(27-20(28)22)17(24)25-10-26-18/h3-6,10,13,15-16,19H,8-9H2,1-2H3,(H2,24,25,26)/t13-,15-,16-,19-/m1/s1
InChI key:InChIKey=XSPCSNCZRVWYLT-NVQRDWNXSA-N
SMILES:BrC=1N([C@H]2[C@]3([C@@]([C@@H](COCC4=CC=C(C#N)C=C4)O2)(OC(C)(C)O3)[H])[H])C=5C(N1)=C(N)N=CN5
Synonyms:
  • Adenosine, 8-bromo-5′-O-[(4-cyanophenyl)methyl]-2′,3′-O-(1-methylethylidene)-
  • 4-((((3AR,4R,6R,6aR)-6-(6-amino-8-bromo-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methoxy)methyl)benzonitrile
  • 8-Bromo-5′-O-[(4-cyanophenyl)methyl]-2′,3′-O-(1-methylethylidene)adenosine
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