Adefovir dipivoxil

• CAS: 142340-99-6
• Catalog Number: ACM142340996
• Category: Inhibitors
• Molecular Weight: 501.47
• Molecular Formula: C₂₀H₃₂N₅O₈P
• Description: Adefovir dipivoxil, an adenosine analogue, is an oral proagent of the nucleoside reverse transcriptase inhibitor Adefovir. Adefovir dipivoxil inhibits both the wild type and HBV Lamivudine-resistant strains. Adefovir dipivoxil shows anti-orthopoxvirus activity.
• Synonyms: BIS POM PMEA;BIS(PIVALOYLOXYMETHYL)-9-[2-(PHOSPHONOMETHOXY)ETHYL]ADENINE;9-[2-[bis[(pivaloyloxy)methoxy]phosphinyl]methoxy]ethyl]adenine;ADEFOVIR DIPIVOXIL;ADEFOVIR PIVOXIL;Adefovir Dipivoxyl;Bis(Pivaloyloxymethyl)-9-[(R)-2-(Phosphonomethoxy)Ethyl]Adenine ;AdefovirDipivoxl98.5%Min
• Canonical SMILES: NC1=C2N=CN(CCOCP(OCOC(C(C)(C)C)=O)(OCOC(C(C)(C)C)=O)=O)C2=NC=N1
• Melting Point: 98-102°C
• Appearance: Solid
• Storage: Powder-20°C, 3 years; 4°C, 2 years; In solvent-80°C, 6 months; -20°C, 1 month.
• Hazard Statements: Xn
• Safety Description: 36/37
• Shipping: Can be shipped at room temperature, where not in use may vary.
• Supplemental Hazard Statements: H302-H312-H332
• Symbol: GHS07

Custom Q&A

What is the molecular formula of adefovir dipivoxil?

The molecular formula of adefovir dipivoxil is C20H32N5O8P.

What is the molecular weight of adefovir dipivoxil?

The molecular weight of adefovir dipivoxil is 501.5 g/mol.

What is the IUPAC name of adefovir dipivoxil?

The IUPAC name of adefovir dipivoxil is [2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate.

What is the InChI of adefovir dipivoxil?

The InChI of adefovir dipivoxil is InChI=1S/C20H32N5O8P/c1-19(2,3)17(26)30-11-32-34(28,33-12-31-18(27)20(4,5)6)13-29-8-7-25-10-24-14-15(21)22-9-23-16(14)25/h9-10H,7-8,11-13H2,1-6H3,(H2,21,22,23).

What is the InChIKey of adefovir dipivoxil?

The InChIKey of adefovir dipivoxil is WOZSCQDILHKSGG-UHFFFAOYSA-N.

What is the canonical SMILES of adefovir dipivoxil?

The canonical SMILES of adefovir dipivoxil is CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N=CN=C21)N)OCOC(=O)C(C)(C)C.

What is the CAS number of adefovir dipivoxil?

The CAS number of adefovir dipivoxil is 142340-99-6.

What is the ChEMBL ID of adefovir dipivoxil?

The ChEMBL ID of adefovir dipivoxil is CHEMBL922.

What is the UNII of adefovir dipivoxil?

The UNII of adefovir dipivoxil is U6Q8Z01514.

What is the Nikkaji Number of adefovir dipivoxil?

The Nikkaji Number of adefovir dipivoxil is J592.477D.

Synthetic Use

Upstream Synthesis Route 1

• 18997-19-8
• 106941-25-7

• 142340-99-6

Reference: [1] Patent: WO2010/110506, 2010, A1, . Location in patent: Page/Page column 7

Upstream Synthesis Route 2

• 106941-25-7

• 142340-99-6

Reference: [1] Patent: CN106699814, 2017, A, . Location in patent: Paragraph 0026-0027

Upstream Synthesis Route 3

• 18997-19-8
• 106941-25-7

• 142340-99-6

Reference: [1]Patent: CN110143983,2019,A .Location in patent: Paragraph 0020; 0051; 0054; 0055; 0057; 0060; 0061

Upstream Synthesis Route 4

• 53064-79-2

• 142340-99-6

Reference: [1]Journal of Medicinal Chemistry,1996,vol. 39,p. 4958 - 4965

Downstream Synthesis Route 1

• 142340-99-6

• 106941-25-7

Reference: [1] ChemMedChem, 2015, vol. 10, # 8, p. 1351 - 1364

* For details of the synthesis route, please refer to the original source to ensure accuracy.