Home Other Building Blocks (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylsulfanyl)-9H-purin-9-yl]oxolane-3,4-diol

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylsulfanyl)-9H-purin-9-yl]oxolane-3,4-diol

CAS No.:
342-69-8
Catalog Number:
AG00C0JZ
Molecular Formula:
C11H14N4O4S
Molecular Weight:
298.3183
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$100
- +
250mg
95%
In Stock USA
United States
$200
- +
1g
95%
In Stock USA
United States
$500
- +
Product Description
Catalog Number:
AG00C0JZ
Chemical Name:
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylsulfanyl)-9H-purin-9-yl]oxolane-3,4-diol
CAS Number:
342-69-8
Molecular Formula:
C11H14N4O4S
Molecular Weight:
298.3183
MDL Number:
MFCD00022826
IUPAC Name:
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol
InChI:
InChI=1S/C11H14N4O4S/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1
InChI Key:
ZDRFDHHANOYUTE-IOSLPCCCSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2SC
EC Number:
206-442-2
UNII:
Y5G39SHR0V
Properties
Complexity:
352  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
298.074g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
298.317g/mol
Monoisotopic Mass:
298.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Literature
Title Journal
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Methylthioinosine phosphorylase from Pseudomonas aeruginosa. Structure and annotation of a novel enzyme in quorum sensing. Biochemistry 20110222
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Plasmodium falciparum purine nucleoside phosphorylase: crystal structures, immucillin inhibitors, and dual catalytic function. The Journal of biological chemistry 20040430
Status of methylthioadenosine phosphorylase and its impact on cellular response to L-alanosine and methylmercaptopurine riboside in human soft tissue sarcoma cells. Oncology research 20040101
Monitoring of AZA/6-MP treatment in children with IBD is necessary. Inflammatory bowel diseases 20031101
Monitoring of azathioprine/6-mercaptopurine treatment in children with IBD is not necessary. Inflammatory bowel diseases 20031101
Thiopurine metabolism and identification of the thiopurine metabolites transported by MRP4 and MRP5 overexpressed in human embryonic kidney cells. Molecular pharmacology 20021201
ElogD(oct): a tool for lipophilicity determination in drug discovery. 2. Basic and neutral compounds. Journal of medicinal chemistry 20010719
Synthesis and antiviral activity of carbocyclic analogues of 2'-deoxyribofuranosides of 2-amino-6-substituted-purines and of 2-amino-6-substituted-8-azapurines. Journal of medicinal chemistry 19841101
Synthesis and antiviral activity of certain carbamoylpyrrolopyrimidine and pyrazolopyrimidine nucleosides. Journal of medicinal chemistry 19821101
Purine analogs as potential anticytomegalovirus agents. Proceedings of the Society for Experimental Biology and Medicine. Society for Experimental Biology and Medicine (New York, N.Y.) 19690901
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