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90301-59-0

90301-59-0 | 5-(2-CHLOROETHYL)-1-[(2S,4S,5R)-4-HYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL ]PYRIMIDINE-2,4-DIONE

CAS No: 90301-59-0 Catalog No: AG006G04 MDL No:

Product Description

Catalog Number:
AG006G04
Chemical Name:
5-(2-CHLOROETHYL)-1-[(2S,4S,5R)-4-HYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL ]PYRIMIDINE-2,4-DIONE
CAS Number:
90301-59-0
Molecular Formula:
C11H15ClN2O5
Molecular Weight:
290.7002
IUPAC Name:
5-(2-chloroethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C11H15ClN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h4,7-9,15-16H,1-3,5H2,(H,13,17,18)/t7-,8+,9+/m0/s1
InChI Key:
UUSHUCRHZYSZKI-DJLDLDEBSA-N
SMILES:
ClCCc1cn([C@@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O

Properties

Complexity:
414  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
290.067g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
290.7g/mol
Monoisotopic Mass:
290.067g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  

Literature

Title Journal
Induction of gene mutations by 5-(2-chloroethyl)-2'-deoxyuridine (CEDU), an antiviral pyrimidine nucleoside analogue. Mutation research 20041221
Induction of A:T to G:C transition mutations by 5-(2-chloroethyl)-2'-deoxyuridine (CEDU), an antiviral pyrimidine nucleoside analogue, in the bone marrow of Muta Mouse. Mutation research 20041221
Synthesis, biotransformation, pharmacokinetics, and antiviral properties of 5-ethyl-5-halo-6-methoxy-5,6-dihydro-2'-deoxyuridine diastereomers. Biochemical pharmacology 19940429
Mechanism of action of 5-(2-chloroethyl)-2'-deoxyuridine, a selective inhibitor of herpes simplex virus replication. Molecular pharmacology 19900501
Synthesis and antiviral and cytotoxic activity of iodohydrin and iodomethoxy derivatives of 5-vinyl-2'-deoxyuridines, 2'-fluoro-2'-deoxyuridine, and uridine. Journal of medicinal chemistry 19900201
Phosphonoformate and phosphonoacetate derivatives of 5-substituted 2'-deoxyuridines: synthesis and antiviral activity. Journal of medicinal chemistry 19880901
2'-Fluorinated arabinonucleosides of 5-(2-haloalkyl)uracil: synthesis and antiviral activity. Journal of medicinal chemistry 19870701
In vitro and in vivo antiviral activity of 2'-fluorinated arabinosides of 5-(2-haloalkyl)uracil. Antiviral research 19870601
5-(Haloalkyl)-2'-deoxyuridines: a novel type of potent antiviral nucleoside analogue. Journal of medicinal chemistry 19851101
Selective in vitro and in vivo activities of 5-(2-haloalkyl)pyrimidine nucleoside analogs, particularly 5-(2-chloroethyl)-2'-deoxyuridine, against herpes simplex virus. Antimicrobial agents and chemotherapy 19850801

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