Tomeglovir

Category	Cytomegalovirus (CMV)
CAS	233254-24-5
Description	Tomeglovir is a potent and selective inhibitor of cytomegalovirus (CMV) replication.

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Product Information

Synonyms	BAY 38-4766; N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-3-hydroxy-2,2-dimethylpropanamide
Molecular Weight	441.54
Molecular Formula	C23H27N3O4S
Canonical SMILES	CC(C)(CO)C(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C
InChI	InChI=1S/C23H27N3O4S/c1-23(2,15-27)22(28)24-16-11-13-17(14-12-16)25-31(29,30)21-10-6-7-18-19(21)8-5-9-20(18)26(3)4/h5-14,25,27H,15H2,1-4H3,(H,24,28)
InChIKey	OSQAKHSYTKBSPB-UHFFFAOYSA-N
Purity	99.45%
Density	1.3±0.1 g/cm3
Solubility	In Vitro: DMSO : ≥ 108 mg/mL (244.60 mM)
Appearance	Light yellow to yellow (Solid)
Storage	Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month
Animal Admin	NOD/LtSz-scid/j mice, 20-30 g body weight, are anesthesized with 0.015-0.017 mL/g body weight Avertin 2.5% (Avertin 100% consists of 10 g tribromoethyl alcohol in 10 mL tertiary amyl alcohol). After shaving and cleaning the belly aseptically, the abdomens are opened and the fibers inserted intra-abdominally. The abdomens are closed with two suture layers. Only asymptomatic animals are included in the study. Starting 1 day after transplantation, the mice are treated with the Tomeglovir at indicated dosages twice daily for four consecutive days per os. In preliminary experiments, viral peak titers are observed on day 5 under these conditions.
Complexity	711
Exact Mass	441.17222752
Index Of Refraction	1.667
In Vitro	Tomeglovir (BAY 38-4766) is a potent anti-CMV agent, with IC50s of 0.34 μM and 0.039 μM for HCMV and MCMV. Tomeglovir also suppresses HELF and NIH 3T3 cells, with CC50s of 85 μM and 62.5 μM, respectively. Tomeglovir (BAY 38-4766) inhibits HCMV Davis and various monkey CMV strains with EC50s of 1.03 ± 0.57 μM and < 1 μM.
In Vivo	Tomeglovir (BAY 38-4766; 3, 10, 30, 100 mg/kg, p.o.) dose-dependently reduces MCMV-DNA in salivary glands, livers and kidneys of MCMV-infected NOD-SCID mice, and prolongs the survival of the mice. Tomeglovir (10, 25 and 50 mg/kg) shows antiviral activity in the hollow fiber mouse model. Tomeglovir (BAY 38-4766) shows antiviral activity in SCID mice with MCMV, and the LD50 is >2000 mg/kg in mice and rats.
Target	IC50: 0.34 μM (HCMV), 0.039 μM (MCMV)
XLogP3-AA	3.7