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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
Assay:
≥98% (HPLC)
Form:
powder
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Product Name

Letermovir, ≥98% (HPLC)

Quality Segment

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

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

Biochem/physiol Actions

Orally active, potent and selective human cytomegalovirus DNA terminase complex inhibitor that interfers with HCMV DNA cleavage and packaging.
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).

Pictograms

Health hazard
GHS08

Signal Word

Warning

Hazard Codes

H361fd,H373

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

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