Mericitabine

Base Information

Chemical Name:Mericitabine
CAS No.:940908-79-2
Deprecated CAS:1221573-82-5,1001913-12-7
Molecular Formula:C₁₈H₂₆FN₃O₆
Molecular Weight:399.419
Hs Code.:
UNII:TA63JX8X52
ChEMBL ID:CHEMBL562967
DSSTox Substance ID:DTXSID201025655
Metabolomics Workbench ID:153103
NCI Thesaurus Code:C98959
Nikkaji Number:J3.439.218H
Wikidata:Q21099044
Wikipedia:Mericitabine
Mol file:940908-79-2.mol

Synonyms:2'-fluoro-2'-methyl-3',5'-diisobutyryldeoxycytidine;mericitabine;R7128;RG 7128;RG-7128;RG7128

Suppliers and Price of Mericitabine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

DC Chemicals
R-7128 >98%
1 g
$ 3200.00

DC Chemicals
R-7128 >98%
250 mg
$ 1600.00

DC Chemicals
R-7128 >98%
100 mg
$ 800.00

Crysdot
R-7128 98+%
50mg
$ 559.00

Crysdot
R-7128 98+%
10mg
$ 215.00

Crysdot
R-7128 98+%
5mg
$ 158.00

ChemScene
Mericitabine 99.47%
50mg
$ 959.00

ChemScene
Mericitabine 99.47%
10mg
$ 367.00

ChemScene
Mericitabine 99.47%
5mg
$ 270.00

Chemenu
(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-fluoro-2-((isobutyryloxy)methyl)-4-methyltetrahydrofuran-3-ylisobutyrate 98%
10mg
$ 201.00

Total 17 raw suppliers

Chemical Property of Mericitabine

Chemical Property:

Boiling Point:496.1±55.0 °C(Predicted)
PKA:4.26±0.10(Predicted)
PSA：122.74000
Density:1.36
LogP:1.79930
Solubility.:Soluble in DMSO
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:399.18056372
Heavy Atom Count:28
Complexity:707

Purity/Quality:

99%, ^*data from raw suppliers

R-7128 >98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)(C)F)OC(=O)C(C)C
Isomeric SMILES:CC(C)C(=O)OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=NC2=O)N)(C)F)OC(=O)C(C)C
Recent ClinicalTrials:A Study of Mericitabine in Combination With Telaprevir and Peginterferon Alfa-2a / Ribavirin in Participants With Chronic Hepatitis C
Recent EU Clinical Trials:A Randomized, Open-Label, Multicenter Study of the Safety, Efficacy, and Tolerability of Combination Treatment of Setrobuvir, Danoprevir, Ritonavir, and Copegus? with or without Mericitabine in Treatment Na?ve HCV Genotype 1?Infected Patients

Technology Process of Mericitabine

There total 4 articles about Mericitabine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

: 817204-33-4
(2'R)-2'-deoxy-2'-fluoro-2'-methylcytidine

: 79-30-1
isobutyryl chloride

: 940908-79-2
mericitabine

Guidance literature:: With dmap; triethylamine; In tetrahydrofuran; water; at 0 - 5 ℃; Time; Temperature; Concentration;

Reference yield: 86.65%

: C₂₂H₂₉N₃O₆Si

: 79-30-1
isobutyryl chloride

: 940908-79-2
mericitabine

Guidance literature:: With dmap; triethylamine; In tetrahydrofuran; water; at 0 ℃; Large scale;

Reference yield:

: 65-46-3
CYTIDINE

: 940908-79-2
mericitabine

Guidance literature:: Multi-step reaction with 3 steps

1: N,N-dimethyl-formamide / 20 h / 20 °C

2: pyridine / 20 °C

3: dmap; triethylamine / water; tetrahydrofuran / 0 °C / Large scale

With pyridine; dmap; triethylamine; In tetrahydrofuran; water; N,N-dimethyl-formamide;