Letermovir

CAT: 0013-GTR19168473-07Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19168473-07Size:100 mg

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Description

Letermovir (AIC246) is a potent antiviral agent targeting cytomegalovirus (CMV) by inhibiting the pUL56 subunit of the viral terminase complex, demonstrating an EC50 of approximately 5 nM in fibroblast assays. It is a valuable research tool for investigating CMV replication mechanisms and has shown efficacy in both in vitro and in vivo models for prophylaxis.

CAS Number

917389-32-3

Product Name Alternative

Inhibitor, HCMV, HCV Protease, HCVProtease, Letermovir, MK8828, MK-8828, MK 8828, inhibit, AIC 246, AIC246, AIC-246, CMV, Cytomegalovirus

Field of Research

Infectious Disease & Virology, Pharmacology & Drug Discovery, Protein Biochemistry

Purity

99.85% (May vary between batches)

Solubility

Ethanol:2 mg/mL (3.49 mM) ; DMSO:70 mg/mL (122.26 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.49 mM)

Smiles

COc1cccc (c1) N1CCN (CC1) C1=Nc2c (F) cccc2[C@H] (CC (O) =O) N1c1cc (ccc1OC) C (F) (F) F

Molecular Formula

C29H28F4N4O4

Molecular Weight

572.55

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Letermovir

Letermovir recieved approval from the FDA on November 8th, 2017 for use in prophylaxis of cytomegalovirus (CMV) infection in allogeneic hematopoietic stem cell transplant patients. It is the first of a new class of CMV anti-infectives called DNA terminase complex inhibitors. Letermovir has recieved both priority and orphan drug status from the FDA. It is currently marketed under the brand name Prevymis.

CAS Number	917389-32-3
PubChem CID	45138674
IUPAC Name	2-[(4S)-8-fluoro-2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]acetic acid
Molecular Formula	C29H28F4N4O4
Molecular Weight	572.5
XLogP	4.6
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Heavy Atom Count	41
Formal Charge	0
Complexity	931

SMILES

COC1=C(C=C(C=C1)C(F)(F)F)N2[C@H](C3=C(C(=CC=C3)F)N=C2N4CCN(CC4)C5=CC(=CC=C5)OC)CC(=O)O

InChI

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

InChIKey

FWYSMLBETOMXAG-QHCPKHFHSA-N

Chemical Structure

2D Structure

CAS: 917389-32-3

CID: 45138674

Formula: C29H28F4N4O4

MW: 572.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	572.5
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Exact Mass	572.20466804
Monoisotopic Mass	572.20466804
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	931
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
FL104029-01	Letermovir
CS-EO-02006	Letermovir d8
HY-15233G	Letermovir (GMP)
TMIH-0298-01	Letermovir-d8
HY-15233R-01	Letermovir (Standard)
TRC-L321007-50MG	Letermovir-d3
A21248-500	Letermovir 500mg
A21248-100	Letermovir 100mg
A21248-5	Letermovir 5mg
C13738-2mg	Letermovir (AIC246)

Letermovir

Chemical Information

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