Tomeglovir
Basic information
- CAS
233254-24-5- Standard SMILES
CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(NC(=O)C(C)(C)CO)cc3)cccc12- InChIKey
OSQAKHSYTKBSPB-UHFFFAOYSA-N- Molecular formula
- C23H27N3O4S
- Average molar mass
- 441.5 g/mol
- Monoisotopic mass
- 441.17222752
Overview
Tomeglovir is a small molecule drug. The usage of the INN stem '-vir' in the name indicates that Tomeglovir is a antiviral. Tomeglovir has a monoisotopic molecular weight of 441.17 Da.
Names & identifiers
- Preferred name
- Tomeglovir
- IUPAC
- N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-3-hydroxy-2,2-dimethylpropanamide
- English name
- TOMEGLOVIR
- Molecular formula
- C23H27N3O4S
- Molecular weight
- 441.54
Names & synonyms
Tomeglovir233254-24-5BAY 38-4766Tomeglovir [INN]UNII-0YPQ44B5890YPQ44B589BAY-384766TOMEGLOVIR [WHO-DD]N-{4-[5-(dimethylamino)naphthalene-1-sulfonamido]phenyl}-3-hydroxy-2,2-dimethylpropanamidetomeglovirumN-(4-(5-(dimethylamino)naphthalene-1-sulfonamido)phenyl)-3-hydroxy-2,2-dimethylpropanamideRefChem:190364
Show more names
tomeglovir casTomeglovir (BAY-38-4766)N-(4-((5-(dimethylamino)naphthalene)-1-sulfonamido)phenyl)-3-hydroxy-2,2-dimethylpropanamide
BAY-38-4766N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-3-hydroxy-2,2-dimethylpropanamideMFCD09837851N-[4-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]phenyl]-2-(hydroxymethyl)-2-methylpropanamidePropanamide, N-[4-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]phenyl]-2-(hydroxymethyl)-2-methyl-N-(4-(((5-(Dimethylamino)-1-naphthyl)sulfonyl)amino)phenyl)-3-hydroxy-2,2-dimethylpropionamideN-[4-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]phenyl]-3-hydroxy-2,2-dimethyl-propanamideTomeglovir, 97%
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 711
Physicochemical properties
- Density
- 1.334 · 1.334±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 108 mg/mL · DMSO : ≥ 108 mg/mL (244.60 mM)
- form
- Solid
- pka
- 8.96 · 8.96±0.50(Predicted)
- color
- Light yellow to yellow
- FDA UNII
- 0 YPQ44B589 · 0YPQ44B589
Chemistry & industry
Applications
UsesTomeglovir is a potent anti-CMV agent, inhibiting processing of viral DNA-concatemers, with IC50s of 0.34 μM and 0.039 μM for HCMV and MCMV.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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