Basic information
- CAS
84558-93-0- Standard SMILES
CC#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O- InChIKey
QLOCVMVCRJOTTM-SDNRWEOFSA-N- Molecular formula
- C12H14N2O6
- Average molar mass
- 282.25 g/mol
- Monoisotopic mass
- 282.08518617
Overview
Netivudine has been used in trials studying the treatment of Chickenpox and HIV Infections.
Names & identifiers
- Preferred name
- Netivudine
- IUPAC
- 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-ynylpyrimidine-2,4-dione
- English name
- Netivudine
- Molecular formula
- C12H14N2O6
- Molecular weight
- 282.25
Names & synonyms
NETIVUDINE84558-93-0882C87PYaraUnetivudina5-PropynylarabinofuranosyluracilF7K51T0Q1W1-(beta-D-Arabinofuranosyl)-5-(1-propynyl)uracilBW882C87DRG-0179882C-87DTXSID70233545
Show more names
2,4(1H,3H)-Pyrimidinedione, 1-β-D-arabinofuranosyl-5-(1-propyn-1-yl)-
netivudinum5-propynyl-araURefChem:165545DTXCID001560365-propynyl-1-(beta-arabinofuranosyl)uracil1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-5-(prop-1-yn-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dioneZonavir1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-ynylpyrimidine-2,4-dione
Database identifiers
- CAS
84558-93-0- PubChem CID
- 55281
- DTXSID
DTXSID70233545- ChEMBL
CHEMBL1097615- UNII
- F7K51T0Q1W
- Nikkaji
- J511.981B
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 531
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- pka
- 8.42 · 8.42±0.10(Predicted)
- FDA UNII
- 7 K51T0Q1W · F7K51T0Q1W
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Applications
UsesNetivudine is a nucleoside analogue with potent anti-varicella zoster virus activity. Netivudine is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
Suppliers8 total
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
北京百奥创新科技有限公司15522676233 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司
Related reactions
1 records
Compound notes
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