TENOFOVIR ALAFENAMIDE
propan-2-yl (2S)-2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
Molecular Identity
TENOFOVIR ALAFENAMIDE
propan-2-yl (2S)-2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
PubChem CID: 9574768
Tenofovir alafenamide is an L-alanine derivative that is isopropyl L-alaninate in which one of the amino hydrogens is replaced by an (S)-({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)(phenoxy)phosphoryl group. A prodrug for tenofovir, it is used (as the fumarate salt) in combination therapy for the treatment of HIV-1 infection. It has a role as an antiviral drug, a prodrug and a HIV-1 reverse transcriptase inhibitor. It is a member of 6-aminopurines, an ether, a phosphoramidate ester, an isopropyl ester and a L-alanine derivative. It is functionally related to an adenine. It is a conjugate base of a tenofovir alafenamide(1+).
2D Structure
Properties
C21H29N6O5P
Molecular Formula
476.50
Molecular Weight
g/mol
476.1937
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
143
TPSA
May have limited oral absorption
2
H-Bond Donors
10
H-Bond Acceptors
680
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
TENOFOVIR ALAFENAMIDE379270-37-8GS-7340GS 7340EL9943AG5JGS-734003CHEBI:90926DTXSID50958941L-Alanine, N-((S)-(((1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)phenoxyphosphinyl)-, 1-methylethyl esterpropan-2-yl (2S)-2-{[(S)-({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)(phenoxy)phosphoryl]amino}propanoateTFV AlafenamideL-Alanine, N-[(S)-[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]phenoxyphosphinyl]-, 1-methylethyl esterpropan-2-yl (2S)-2-(((S)-((((2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)(phenoxy)phosphoryl)amino)propanoateRefChem:56250DTXCID401386833
Data from PubChem (NCBI)
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