Identification and Related Records
- 【CAS Registry number】
- 147127-20-6
- 【Synonyms】
-
(R)-9-[2-(phosphonomethoxy)propyl]adenine
Tenofovir disoproxil fumarate and intermediates
Phosphonic acid, (((1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)-
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid
Phosphonic acid, ((2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)-, (R)-
- 【Molecular Formula】
- C9H14N5O4P (Products with the same molecular formula)
- 【Inchi】
- InChI=1/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m0/s1
147127-20-6.mol
Chemical and Physical Properties
- 【Computed Properties】
- 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
Use and Manufacturing
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.