Adefovir dipivoxil
CAS Number: 142340-99-6
Molecular Mass: 501.5 g/mol
Formula: C20H32N5O8P
Smiles: CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C
Synonymes:
Adefovir dipivoxil, ADEFOVIR DIPIVOXIL, 142340-99-6, Hepsera, Adefovir pivoxil, GS-0840, GS 0840, Adefovir di(pivaloyloxymethyl) ester, DTXSID5046487, 9-(2-((Bis((pivaloyloxy)methoxy)phosphinyl)methoxy)ethyl)adenine, 9-(2-((-Bis((pivaloyloxy)methoxy)phosphinyl)methoxy)ethyl)adenine, (((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)phosphinylidene)bis(oxymethylene) 2,2-dimethylpropanoate, U6Q8Z01514, Propanoic acid, 2,2-dimethyl-, (((2-(6-amino-9H-purin-9-yl)ethoxy)methyl)phosphinylidene)bis(oxymethylene) ester, DTXCID3026487, CHEBI:31175, adefovir depivoxil, [({[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}({[(2,2-dimethylpropanoyl)oxy]methoxy})phosphoryl)oxy]methyl 2,2-dimethylpropanoate, ((((2-(6-amino-9H-purin-9-yl)ethoxy)methyl)((((2,2-dimethylpropanoyl)oxy)methoxy))phosphoryl)oxy)methyl 2,2-dimethylpropanoate, RefChem:56260, Preveon, bis-POM PMEA, GS 840, [2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate, GS-840, Adefovirdipivoxil, Adefovir dipivoxil [USAN], MFCD00869897, Adefovir pivoxil (JAN), ((((2-(6-amino-9H-purin-9-yl)ethoxy)methyl)phosphoryl)bis(oxy))bis(methylene) bis(2,2-dimethylpropanoate), Adefovir dipivoxil (USAN), NCGC00164624-01, Adefovirdipivoxl, ((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)phosphonic acid, diester with hydroxymethyl pivalate, Propanoic acid, 2,2-dimethyl-, 1,1'-[[[[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]phosphinylidene]bis(oxymethylene)] ester, ADEFOVIR PIVOXIL [JAN], 9-(2[bis(Pivaloyloxymethoxy)phosphorylmethoxy]ethyl)adenine, Bis(POM)-PMEA, C20H32N5O8P, YouHeDing, Bis(pom)PMEA, SMR002530072, Hepsera (TM), Hepsera (TN), Piv2PMEA, CAS-142340-99-6, UNII-U6Q8Z01514, adefovir-dipivoxil, [[2-(6-Amino-9H-purin-9-yl)ethoxy]methyl]phosphonic acid, diester with hydroxymethyl pivalate, Adefovir Dipivoxil?, CHEMBL922, SCHEMBL29729, MLS003915635, MLS004774124, Adefovir dipivoxil (Standard), orb1307797, SCHEMBL29372789, HY-B0255R, Bis(pivaloyloxymethyl)-9-(2-phosphonylmethoxyethyl)adenine, ADEFOVIR DIPIVOXIL [VANDF], GLXC-05065, HMS3604F09, HMS3655I04, HMS5079P16, ADEFOVIR DIPIVOXIL [MART.], ADEFOVIR DIPIVOXIL [WHO-DD], HY-B0255, Tox21_112243, BDBM50248359, EBC-11264, s1718, STL257088, ADEFOVIR DIPIVOXIL [EMA EPAR], Adefovir Dipivoxil (Preveon, Hepsera), AKOS005145737, Tox21_112243_1, AB07592, AC-1693, Adefovir dipivoxil - Bio-X trade mark, CCG-269700, DB00718, FA07057, GS-3604, ADEFOVIR DIPIVOXIL [ORANGE BOOK], NCGC00164624-02, NCGC00164624-03, NCGC00164624-11, "Adefovir Dipivoxil (Preveon, Hepsera)", BA164139, A2414, NS00005343, SW219933-1, D01655, SBI-0653850.0001, AB01274706-01, AB01274706_02, ADEFOVIR DI(PIVALOYLOXYMETHYL) ESTER [MI], Adefovir dipivoxil 100 microg/mL in Acetonitrile, F857130, SR-01000931258, SR-01000931258-2, BRD-K96159438-001-03-0, BRD-K96159438-001-06-3, BRD-K96159438-001-07-1, Z1546616202, 9-[2-[Bis(pivaloyloxymethoxy)phosphorylmethoxy]ethyl]adenine, Bis(Pivaloyloxymethyl)-9-[(R)-2-(Phosphonomethoxy)Ethyl]Adenine, ((((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)phosphoryl)-bis(oxy))bis(methylene) bis(2,2-dimethylpropanoate), ({[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphoryl)bis(oxymethanediyl) bis(2,2-dimethylpropanoate), [({[2-(6-Amino-9H-purin-9-yl)ethoxy]methyl}phosphoryl)bis(oxy)methylene] bis(2,2-dimethylpropanoate), 3-{[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}-8,8-dimethyl-3-oxido-7-oxo-2,4,6-trioxa-3lambda~5~-phosphanon-1-yl 2,2-dimethylpropanoate
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| Acetone | 298.15 | - | 480.1 | [417] |
| Dichloromethane | 298.15 | - | 1650.5 | [417] |
| Ethanol | 298.15 | - | 301.4 | [417] |
| Ethyl acetate | 298.15 | - | 137.3 | [417] |
| Isopropanol | 298.15 | - | 168.5 | [417] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 4426.6690 |
| PMI2 | 10573.0230 |
| PMI3 | 12950.5288 |
| NPR1 | 0.3418 |
| NPR2 | 0.8164 |
| RadiusOfGyration | 5.2790 |
| InertialShapeFactor | 0.0002 |
| Eccentricity | 0.9398 |
| Asphericity | 0.2972 |
| SpherocityIndex | 0.2061 |
| PBF | 1.2570 |