Molecular Weight:287.212321 [g/mol]
Molecular Formula:C9H14N5O4P
XLogP3:-1.6
H-Bond Donor:3
H-Bond Acceptor:4
Rotatable Bond Count:5
Tautomer Count:3
Exact Mass:287.07834
MonoIsotopic Mass:287.07834
Topological Polar Surface Area:136
Heavy Atom Count:19
Formal Charge:0
Complexity:354
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
Feature 3D Acceptor Count:4
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Cation Count:4
Feature 3D Ring Count:2
Effective Rotor Count:5
Conformer Sampling RMSD:0.6
CID Conformer Count:27
Safety and Handling
【Specification】
?Tenofovir , its cas register number is 147127-20-6. It also can be called 1-(6-Aminopurin-9-yl)propan-2-yloxymethylphosphonic acid ; and PMPA prodrug .
Use and Manufacturing
【Usage】
Acyclic phosphonate nucleotide analogue. Used as an anti-HIV agent
Biomedical Effects and Toxicity
【Biological Activity】
Selectively inhibits HIV reverse transcriptase (RNA-dependent DNA polymerase). Prevents cytotoxicity in SIV-infected C-8166 cells in vitro (IC 50 = 1.5 μ M). Antiviral agent.
【Pharmacological Action】
- Agents used to treat AIDS and/or stop the spread of the HIV infection. These do not include drugs used to treat symptoms or opportunistic infections associated with AIDS.
- Inhibitors of reverse transcriptase (RNA-DIRECTED DNA POLYMERASE), an enzyme that synthesizes DNA on an RNA template.