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Tenofovir Alafenamide

CAT: 1568-C13004-25mgSize: 25 mgDry Ice: YesHazardous: No
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CAT#:1568-C13004-25mgSize:25 mg
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CAS Number
379270-37-8
Synonyms
GS-1278
Target
Reverse Transcriptase
Applications
Microbiology
Smiles
CC (C) OC (=O) C (C) NP (=O) (COC (C) CN1C=NC2=C (N=CN=C21) N) OC3=CC=CC=C3
Molecular Formula
C21H29N6O5P
Additionnal Information
Tenofovir Alafenamide is a prodrug of tenofovir, which is a reverse transcriptase inhibitor, used to treat HIV and Hepatitis B.
Storage Conditions
2 years -80 in solvent

Chemical Information

Tenofovir Alafenamide

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+).

CAS Number379270-37-8
PubChem CID9574768
IUPAC Namepropan-2-yl (2S)-2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
Molecular FormulaC21H29N6O5P
Molecular Weight476.5
XLogP1.9
Topological Polar Surface Area143
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Heavy Atom Count33
Formal Charge0
Complexity680
SMILES
C[C@H](CN1C=NC2=C(N=CN=C21)N)OC[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3
InChI
InChI=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
InChIKey
LDEKQSIMHVQZJK-CAQYMETFSA-N
Chemical Structure
2D Structure
2D structure of Tenofovir Alafenamide
CAS: 379270-37-8
CID: 9574768
Formula: C21H29N6O5P
MW: 476.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.5
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Exact Mass476.19370504
Monoisotopic Mass476.19370504
Topological Polar Surface Area143 Ų
Heavy Atom Count33
Formal Charge0
Complexity680
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T128-50MGTenofovir Alafenamide
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