Home Aminos Thymidine, 5'-amino-5'-deoxy-

Thymidine, 5'-amino-5'-deoxy-

CAS No.:
25152-20-9
Catalog Number:
AG002QNU
Molecular Formula:
C10H15N3O4
Molecular Weight:
241.2438
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Product Description
Catalog Number:
AG002QNU
Chemical Name:
Thymidine, 5'-amino-5'-deoxy-
CAS Number:
25152-20-9
Molecular Formula:
C10H15N3O4
Molecular Weight:
241.2438
IUPAC Name:
1-[(2R,4S,5R)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C10H15N3O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3,11H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
InChI Key:
PYWLBQPICCQJFF-XLPZGREQSA-N
SMILES:
NC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Properties
Complexity:
382  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
241.106g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
241.247g/mol
Monoisotopic Mass:
241.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  
Literature
Title Journal
Kinetic parameters and recognition of thymidine analogues with varying functional groups by thymidine phosphorylase. Bioorganic & medicinal chemistry 20080401
Rational design of 5'-thiourea-substituted alpha-thymidine analogues as thymidine monophosphate kinase inhibitors capable of inhibiting mycobacterial growth. Journal of medicinal chemistry 20071101
3D-QSAR studies on antitubercular thymidine monophosphate kinase inhibitors based on different alignment methods. Bioorganic & medicinal chemistry letters 20060215
Thymidine and thymidine-5'-O-monophosphate analogues as inhibitors of Mycobacterium tuberculosis thymidylate kinase. Bioorganic & medicinal chemistry letters 20030915
X-irradiation effects on thymidine kinase (TK): II. The significance of deoxythymidine triphosphate for inhibition of TK1 activity. Cell proliferation 20020401
Structure-activity relationships of pyrimidine nucleosides as antiviral agents for human immunodeficiency virus type 1 in peripheral blood mononuclear cells. Journal of medicinal chemistry 19890301
Synthesis and antiviral activity of various 3'-azido, 3'-amino, 2',3'-unsaturated, and 2',3'-dideoxy analogues of pyrimidine deoxyribonucleosides against retroviruses. Journal of medicinal chemistry 19870201
Nucleosides. 139. Synthesis and anticytomegalovirus and antiherpes simplex virus activity of 5'-modified analogues of 2'-fluoroarabinosylpyrimidine nucleosides. Journal of medicinal chemistry 19870101
Synthesis of some 5'-amino-2',5'-dideoxy-5-iodouridine derivatives and their antiviral properties against herpes simplex virus. Antiviral research 19821201
Synthesis and antiviral activity of 5- and 5'-substituted thymidine analogs. Journal of medicinal chemistry 19760401
Properties