CAS Number209216-23-9
SynonymsEntecavirhydrate; Entecavir hydrate; entecavir; Entecavir Monohydrate IsoMers; BMS 200475-01; 9-[(1S,3R,4S)-4-Hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]guanine Monohydrate; Entecavir (monohydrate); Entecavir monohydrate; 9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-guanine Monohydrate
Molecular FormulaC12H17N5O4
Molecular Weight295.29
Purity98.00%
Density1.81
Boiling Point661.4ºC at 760 mmHg
Melting Point259 °C(dec.)
AppearanceEntecavir monohydrate (209216-23-9) is a white or off-white crystalline powder, odorless, soluble in
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 209216-23-9 |
| Catalog No. | 2A-9055450 |
| Chinese Name | 恩替卡韦一水合物 |
| Synonyms | Entecavirhydrate; Entecavir hydrate; entecavir; Entecavir Monohydrate IsoMers; BMS 200475-01; 9-[(1S,3R,4S)-4-Hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]guanine Monohydrate; Entecavir (monohydrate); Entecavir monohydrate; 9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-guanine Monohydrate |
| Molecular Formula | C12H17N5O4 |
| Molecular Weight | 295.29 |
| Purity | 98.00 |
| Density | 1.81 |
| Boiling Point | 661.4ºC at 760 mmHg |
| Melting Point | 259 °C(dec.) |
| Appearance | Entecavir monohydrate (209216-23-9) is a white or off-white crystalline powder, odorless, soluble in |
| Water Solubility | Water solubility: virtually insoluble; water solub |
| Storage Condition | 2-8°C |
| Application | Entecavir monohydrate (SQ 34676; BMS 200475) is a selective and effective HBV inhibitor. The EC50 value in HepG2 cells is 3.75 nM. |
| HTC | 2933990090 |
| SMILES | [n]2(c3nc(nc(c3nc2)O)N)C1C[C@@H]([C@H](C1=C)CO)O.O |
| InChI | 1S/C12H15N5O3.H2O/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20;/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20);1H2/t6-,7?,8-;/m0./s1 |
| InChI Key | YXPVEXCTPGULBZ-JBDQBEHPSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| MSDS | msds/55450_1_209216_23_9.pdf |
| Use of | Properties Name entecavir hydrate Synonym More Synonyms Entecavir monohydrate Biological Activity Related Catalog Signaling Pathways >> Anti-infection >> HBV Research Areas >> Infection In Vitro BMS-200475 has a EC50 of 3.75 nM against HBV. It is incorporated into the protein primer of HBV and subsequently inhibits the priming step of the reverse transcriptase. The antiviral activity of BMS-200475 is significantly less against the other RNA and DNA viruses[1]. Entecavir is more readily phosphorylated to its active metabolites than other deoxyguanosine analogs (penciclovir, ganciclovir, lobucavir, and aciclovir) or lamivudine. The intracellular half-life of entecavir is 15 h[2]. References [1]. Innaimo SF, et al. Identification of?BMS-200475?as a potent and selective inhibitor of hepatitis B virus. Antimicrob Agents Chemother. 1997 Jul;41(7):1444-8. [2]. Rivkin A, et al. A review of entecavir in the treatment of chronic hepatitis B infection. Curr Med Res Opin.?2005 Nov;21(11):1845-56. [3]. Genovesi EV, et al. Efficacy of the carbocyclic 2'-deoxyguanosine nucleoside?BMS-200475?in the woodchuck model of hepatitis B virus infection. Antimicrob Agents Chemother.?1998 Dec;42(12):3209-17. Chemical & Physical Properties Molecular Formula C12H17N5O4 Exact Mass 295.128052 PSA 139.28000 InChIKey YXPVEXCTPGULBZ-WQYNNSOESA-N Safety Information Hazard Codes Xi RIDADR NONH for all modes of transport WGK Germany 3 HS Code 2933990090 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: 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% |
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