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Substrate Report for: Tenofovir-alafenamide

Name Class
Tenofovir-alafenamideTypeDrug
Pro-Drug
Aminopurin
Propionate
Other_Name (4)
Chemical_Nomenclaturepropan-2-yl (2S)-2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
FormulaC21H29N6O5P
CAS_number379270-37-8
MW476.5
Paper (7)
CommentA prodrug for tenofovir (HIV-1 reverse transcriptase inhibitor), used in combination therapy for the treatment of HIV-1 infection. L-alanine derivative, a phosphoramidate ester
Gene_locus (2)
CID9574768
Family (2)
InChIKeyLDEKQSIMHVQZJK-CAQYMETFSA-N
CanonicalSMILESCC(C)OC(=O)C(C)NP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)OC3=CC=CC=C3
InChIInChI=1S/C21H29N6O5P/c1-14(2)31-21(28)16(4)26-33(29,32-17-8-6-5-7-9-17)13-30-15(3)10-27-12-25-18-19(22)23-11-24-20(18)27/h5-9,11-12,14-16H,10,13H2,1-4H3,(H,26,29)(H2,22,23,24)/t15-,16+,33+/m1/s1

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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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