ChemicalBook--->CAS DataBase List--->917389-32-3

917389-32-3

917389-32-3 Structure

917389-32-3 Structure
IdentificationBack Directory
[Name]

LeterMovir
[CAS]

917389-32-3
[Synonyms]

AIC246
CS-2799
MK-8828
LeterMovir
LeterMovir-005
Letermovir (AIC246)
AIC246;AIC 246;AIC-246
(4S)-8-Fluoro-3,4-dihydro-2-[4-(3-methoxyphenyl)-1-piperazinyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-4-quinazolineacetic acid
4-Quinazolineacetic acid, 8-fluoro-3,4-dihydro-2-[4-(3-methoxyphenyl)-1-piperazinyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-, (4S)-
[EINECS(EC#)]

200-001-8
[Molecular Formula]

C29H28F4N4O4
[MDL Number]

MFCD22572725
[MOL File]

917389-32-3.mol
[Molecular Weight]

572.55
Chemical PropertiesBack Directory
[Boiling point ]

706.5±70.0 °C(Predicted)
[density ]

1.37±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Store in freezer, under -20°C
[solubility ]

≥57.3 mg/mL in DMSO; insoluble in EtOH; insoluble in H2O
[form ]

solid
[pka]

4.00±0.10(Predicted)
[color ]

Off-white to yellow
[InChIKey]

FWYSMLBETOMXAG-QHCPKHFHSA-N
[SMILES]

N1C2=C(C=CC=C2F)[C@H](CC(O)=O)N(C2=CC(C(F)(F)F)=CC=C2OC)C=1N1CCN(C2=CC=CC(OC)=C2)CC1
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)
GHS08
[Signal word ]

Warning
[Hazard statements ]

H361-H373
[Precautionary statements ]

P260-P314-P501-P201-P202-P281-P308+P313-P405-P501
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Repr. 2
STOT RE 2 Oral
Hazard InformationBack Directory
[Uses]

Letermovir acts as an orally or i.v administered cytomegalovirus terminus complex inhibitor, antiviral agent, used in the treatment of CMV infection which is prevalent in those with immunocompromised systems.
[Biological Activity]

Letermovir (AIC246) is an orally activepotent and selective human cytomegalovirus (HCMV) DNA terminase complex inhibitor th at blocks HCMV replication (EC50 = 0.9-3.1 nM among 17 clinial HCMV isolates; EC50 = 1.6-3.9 nM against 6 AD169-derived drug-resistant variants) by interfering with viral DNA cleavage/packaging. Letermovir exhibits little potency toward MCMV (Smith)RCMV (Maastricht)VZV (Oka)HSV-1 (166v VP22-GFP)HSV-2 (01-6332)HHV-6 (typeA-GS) or EBV (B95-8) (MCMV EC50 = 4.5 μMall other EC50 >10 μM).
[in vivo]

Letermovir (10-100 mg/kg/day, p.o.) leads to a dose-dependent reduction of the HCMV titer in transplanted cells compared to that of the placebo-treated control group using the mouse xenograft model[3].

Spectrum DetailBack Directory
[Spectrum Detail]

LeterMovir(917389-32-3)1HNMR
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