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Home Other Building Blocks 5-Bromo-7-β-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5-Bromo-7-β-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

CAS No.:
21193-80-6
Catalog Number:
AG00348A
Molecular Formula:
C11H13BrN4O4
Molecular Weight:
345.1493
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Product Description
Catalog Number:
AG00348A
Chemical Name:
5-Bromo-7-β-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CAS Number:
21193-80-6
Molecular Formula:
C11H13BrN4O4
Molecular Weight:
345.1493
MDL Number:
MFCD22124434
IUPAC Name:
(2R,3R,4S,5R)-2-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C11H13BrN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1
InChI Key:
ZWTPRQXZXQEKFT-IOSLPCCCSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(c2c1ncnc2N)Br
Properties
Complexity:
365  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
344.012g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
345.153g/mol
Monoisotopic Mass:
344.012g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Literature
Title Journal
A CoMSIA study on the adenosine kinase inhibition of pyrrolo[2,3-d]pyrimidine nucleoside analogues. Bioorganic & medicinal chemistry 20080501
Biochemical and biological properties of 5-bromotubercidin: differential effects on cellular DNA-directed and viral RNA-directed RNA synthesis. Bioorganic & medicinal chemistry 20080201
A TOPS-MODE approach to predict adenosine kinase inhibition. Bioorganic & medicinal chemistry letters 20040621
QSAR study on adenosine kinase inhibition of pyrrolo[2,3-d]pyrimidine nucleoside analogues using the hansch approach. Bioorganic & medicinal chemistry letters 20020325
Synthesis and antiviral activity of some new S-adenosyl-L-homocysteine derivatives. Journal of medicinal chemistry 19921127
Synthesis, antiproliferative, and antiviral activity of certain 4-aminopyrrolo[2,3-d]pyridazine nucleosides: an entry into a novel series of adenosine analogues. Journal of medicinal chemistry 19920207
Design, synthesis, and studies on the structure activity relationships of certain pyrrolo[2,3-d]pyrimidine nucleosides and structurally related analogs as potential antineoplastic and antiviral agents. Farmaco (Societa chimica italiana : 1989) 19910101
Synthesis, antiproliferative, and antiviral activity of certain 4-substituted and 4,5-disubstituted 7-[(1,3-dihydroxy-2-propoxy)methyl]pyrrolo[2,3-d]pyrimidines. Journal of medicinal chemistry 19900701
Synthesis and antiviral activity of certain 4- and 4,5-disubstituted 7-[(2-hydroxyethoxy)methyl]pyrrolo[2,3-d]pyrimidines. Journal of medicinal chemistry 19881101
Structure-activity relationship of novel oligopeptide antiviral and antitumor agents related to netropsin and distamycin. Journal of medicinal chemistry 19860701
Comparative efficacy of broad-spectrum antiviral agents as inhibitors of rotavirus replication in vitro. Antiviral research 19860101
Broad-spectrum antiviral activity of adenosine analogues. Antiviral research 19840601
Antiviral activity of C-5 substituted tubercidin analogues. Journal of medicinal chemistry 19840301
Properties