Adefovir

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Names

[ CAS No. ]:
106941-25-7

[ Name ]:
Adefovir

[Synonym ]:
gs0393
((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)phosphonic acid
MFCD00866943
PMEA

Chemical & Physical Properties

[ Density]:
1.9±0.1 g/cm3

[ Boiling Point ]:
632.5±65.0 °C at 760 mmHg

[ Melting Point ]:
>260°C

[ Molecular Formula ]:
C8H12N5O4P

[ Molecular Weight ]:
273.186

[ Flash Point ]:
336.3±34.3 °C

[ Exact Mass ]:
273.062683

[ PSA ]:
146.19000

[ LogP ]:
-2.06

[ Vapour Pressure ]:
0.0±2.0 mmHg at 25°C

[ Index of Refraction ]:
1.769

[ Storage condition ]:
-20°C Freezer

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SZ6563500
CHEMICAL NAME :
Phosphonic acid, ((2-(6-amino-9H-purin-9-yl)ethoxy)methyl)-
CAS REGISTRY NUMBER :
106941-25-7
LAST UPDATED :
199712
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C8-H12-N5-O4-P
MOLECULAR WEIGHT :
273.22

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold

MUTATION DATA

TEST SYSTEM :
Insect - Drosophila melanogaster
DOSE/DURATION :
100 ppm
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 311,305,1994

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301

[ Precautionary Statements ]:
P301 + P310

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38:Irritating to eyes, respiratory system and skin .

[ Safety Phrases ]:
S26

[ RIDADR ]:
UN 2585 8/PG 3

[ WGK Germany ]:
2

[ RTECS ]:
SZ6563500

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 9-(2-Diisopanoxyphosphonylmethoxyethyl)adenine
  • diisopropyl ((2-(6-amino-9H-purin-9-yl)ethoxy)methyl)phosphonate
  • 2-(6-amino-9H-purin-9-yl)ethanol
  • diethyl ((2-((5-amino-6-chloropyrimidin-4-yl)amino)ethoxy)methyl)phosphonate
  • diethyl ((2-(6-chloro-9H-purin-9-yl)ethoxy)methyl)phosphonate
  • 6H-Purin-6-imine, 1,7-dihydro- (9CI)
  • Methyl Ester of 9-(2-Phosphonylmethoxyethyl)adenine
  • Diethyl tosyloxy methylphosphonate
  • {[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphinic acid

DownStream

  • 9-[2-(dichlorophosphorylmethoxy)ethyl]purin-6-amine
  • 9-(2-Diisopanoxyphosphonylmethoxyethyl)adenine
  • Adefovir Dipivoxil
  • 9-[2-({bis[(pivaloyloxy)methoxy]phosphinyl}methoxy)ethyl]-6-[(hydroxymethyl)amino]purine
  • 9-[2-(diphenoxyphosphorylmethoxy)ethyl]purin-6-amine
  • 2-(6-oxo-3H-purin-9-yl)ethoxymethylphosphonic acid

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

In vitro evaluation of 9-(2-phosphonylmethoxyethyl)adenine ester analogues, a series of anti-HBV structures with improved plasma stability and liver release.

Arch. Pharm. Res. 37(11) , 1416-25, (2014)

Chronic hepatitis B virus (HBV) infection may lead to liver cirrhosis and hepatocellular carcinoma, but few drugs are available for its treatment. Acyclic nucleoside phosphonates (ANPs) have remarkabl...

Quantitative high-throughput identification of drugs as modulators of human constitutive androstane receptor.

Sci. Rep. 5 , 10405, (2015)

The constitutive androstane receptor (CAR, NR1I3) plays a key role in governing the transcription of numerous hepatic genes that involve xenobiotic metabolism/clearance, energy homeostasis, and cell p...

Surface engineered polymeric nanocarriers mediate the delivery of transferrin-methotrexate conjugates for an improved understanding of brain cancer.

Biochem. Biophys. Res. Commun. 457(3) , 353-7, (2015)

The objective of present study was to enhance permeation of bioactive molecules across blood brain barrier (BBB) through polysorbate 80 coated poly-lactic-co-glycolic acid (PLGA) nanoparticles (NPs) l...


More Articles

Related Compounds

  • Adefovir-d4
  • ADEFOVIR PIVOXIL
  • Adefovir iMpurity
  • Adefovir Impurity 6
  • Adefovir Impurity 8
  • Adefovir Impurity 5
  • 2-(Aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid
  • 2-(Aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-6-methanol
  • 2-(Aminomethyl)-5-cyano-3-(difluoromethyl)pyridine-6-methanol
  • 2-(Aminomethyl)-4-cyano-5-(difluoromethyl)-3-(trifluoromethyl)pyridine
  • 2-(Aminomethyl)-4-cyano-6-(difluoromethyl)-3-(trifluoromethyl)pyridine
  • 2-(Aminomethyl)-4-cyano-6-(difluoromethyl)pyridine-3-methanol
  • 2-(Aminomethyl)-6-(difluoromethyl)-3-hydroxy-4-nitropyridine
  • 2-(Aminomethyl)-5-(difluoromethyl)-3-fluoro-4-hydroxypyridine
  • 2-(Aminomethyl)-5-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)pyridine
  • 2-(Aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-acetonitrile
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