634907-30-5

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634907-30-5 Structure

Identification	Back Directory
[Name] Censavudine
[CAS] 634907-30-5
[Synonyms] 4'-Ed4T BMS 986001 Festinavir Censavudine 2',3'-Didehydro-3'-deoxy-4'-ethynylthymidine Thymidine, 2',3'-didehydro-3'-deoxy-4'-ethynyl-
[Molecular Formula] C12H12N2O4
[MDL Number] MFCD28502139
[MOL File] 634907-30-5.mol
[Molecular Weight] 248.23

Chemical Properties	Back Directory
[Melting point ] 207-209℃
[density ] 1.42±0.1 g/cm3(Predicted)
[storage temp. ] 4°C, away from moisture
[solubility ] DMSO : 52 mg/mL (209.48 mM; Need ultrasonic)
[form ] Solid
[pka] 9.47±0.10(Predicted)
[color ] Light yellow to yellow
[InChI] InChI=1S/C12H12N2O4/c1-3-12(7-15)5-4-9(18-12)14-6-8(2)10(16)13-11(14)17/h1,4-6,9,15H,7H2,2H3,(H,13,16,17)/t9-,12+/m1/s1
[InChIKey] OSYWBJSVKUFFSU-SKDRFNHKSA-N
[SMILES] OC[C@@]1(C#C)O[C@@H](N2C=C(C)C(=O)NC2=O)C=C1

Safety Data	Back Directory
[Symbol(GHS) ] GHS08
[Signal word ] Warning
[Hazard statements ] H373-H341
[Precautionary statements ] P201-P202-P281-P308+P313-P405-P501-P260-P314-P501

Hazard Information	Back Directory
[Uses] Festinavir is a modified nucleoside which has been shown great in vitro activity against HIV-2. It has also been used as potent inhibitor against entecavir-resistant hepatitis B.
[in vivo] The pharmacokinetic parameters of Censavudine (BMS-986001; 100-750 mg/kg) generated from the dried blood spot (DBS) assay and the plasma assay is compared. The ratios of the AUC_{(0-24 h)} and C_max for BMS-986001 in DBS compared to those in plasma are consistent at 0.83-0.91 and 0.81-0.97, respectively, across all dose groups in rats. The T_max in rat DBS and plasma are also consistent at about 1 h^[2].
[IC 50] HIV-2: 30-81 nM (EC₅₀); HIV-1: 450-890 nM (IC₅₀)

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