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Merck
CN

SML3891

Letermovir

≥98% (HPLC), human cytomegalovirus DNA terminase complex inhibitor, powder

Synonym(s):

(4S)-2-{8-Fluoro-2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-yl}acetic acid, AIC 246, AIC-246, AIC246

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About This Item

Empirical Formula (Hill Notation):
C29H28F4N4O4
CAS Number:
917389-32-3
Molecular Weight:
572.55
UNSPSC Code:
41106609
NACRES:
NA.21
MDL number:
MFCD22572725

Key Documents

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Product Name

Letermovir, ≥98% (HPLC)

SMILES string

FC(F)(F)c1cc(c(cc1)OC)N2[C@H](c3c(c(ccc3)F)N=C2N4CCN(CC4)c5cc(ccc5)OC)CC(=O)O

InChI

1S/C29H28F4N4O4/c1-40-20-6-3-5-19(16-20)35-11-13-36(14-12-35)28-34-27-21(7-4-8-22(27)30)23(17-26(38)39)37(28)24-15-18(29(31,32)33)9-10-25(24)41-2/h3-10,15-16,23H,11-14,17H2,1-2H3,(H,38,39)/t23-/m0/s1

InChI key

FWYSMLBETOMXAG-QHCPKHFHSA-N

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

Quality Level

100

Related Categories

Biochem/physiol Actions

Letermovir (AIC246) is an orally active, potent and selective human cytomegalovirus (HCMV) DNA terminase complex inhibitor that 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 µM, all other EC50 >10 µM).
Orally active, potent and selective human cytomegalovirus DNA terminase complex inhibitor that interfers with HCMV DNA cleavage and packaging.

pictograms

Health hazard
GHS08

signalword

Warning

Hazard Classifications

Repr. 2 - STOT RE 2 Oral

target_organs

Liver,Blood,spleen

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000517838
0000312440
0000312439
0000312440
0000279565

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The novel anticytomegalovirus compound AIC246 (Letermovir) inhibits human cytomegalovirus replication through a specific antiviral mechanism that involves the viral terminase
Journal of virology, 85(20), 10884-10893 (2011)
In vitro and in vivo activities of the novel anticytomegalovirus compound AIC246
Antimicrobial Agents and Chemotherapy, 54(3), 1290-1297 (2010)
In vitro evaluation of the activities of the novel anticytomegalovirus compound AIC246 (letermovir) against herpesviruses and other human pathogenic viruses
Antimicrobial Agents and Chemotherapy, 56(2), 1135-1137 (2012)

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