Related Searches: Tenofovir, tenofovir disoproxil fumarate

Tenofovir(CAS No. 147127-20-6)

Tenofovir C9H14N5O4P (cas 147127-20-6) Molecular Structure

147127-20-6 Structure

Identification and Related Records

【Name】
Tenofovir
【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)
【Molecular Weight】
287.22
【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
【Canonical SMILES】
CC(CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O
【Isomers smiles】
C[C@H](CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O
【MOL File】
147127-20-6.mol

Chemical and Physical Properties

【Appearance】
White Crystalline Solid
【Density】
1.79 g/cm3
【Melting Point】
276-280℃
【Boiling Point】
616.1 °C at 760 mmHg
【Flash Point】
326.4 °C
【Water】
13.4 mg/mL (25℃)
【Solubilities】
Water solubility: 13.4 mg/mL (25 °C)
【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

【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.

Supplier Location

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Telephone:86-25-83697070

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