Emivirine

Base Information

Chemical Name:Emivirine
CAS No.:149950-60-7
Molecular Formula:C17H22 N2 O3
Molecular Weight:302.373
Hs Code.:2933990090
UNII:X87G8IX72O
DSSTox Substance ID:DTXSID80164437
Nikkaji Number:J556.890K
Wikipedia:Emivirine
Wikidata:Q906062
NCI Thesaurus Code:C73147
Metabolomics Workbench ID:56542
ChEMBL ID:CHEMBL35033
Mol file:149950-60-7.mol

Synonyms:1-(ethoxymethyl)-5-(1-methylethyl)-6-(phenylmethyl)-2,4(1H,3H)-pyrimidinedione;6-benzyl-1-(ethoxymethyl)-5-isopropyluracil;6-benzyl-1-ethoxymethyl-5-isopropyluracil;emivirine;MKC 442;MKC-442

Suppliers and Price of Emivirine

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

Crysdot
6-Benzyl-1-(ethoxymethyl)-5-isopropylpyrimidine-2,4(1H,3H)-dione 95+%
50mg
$ 1080.00

Chemenu
6-Benzyl-1-(ethoxymethyl)-5-isopropylpyrimidine-2,4(1H,3H)-dione 95%
1g
$ 693.00

Alichem
6-Benzyl-1-(ethoxymethyl)-5-isopropyluracil
250mg
$ 2317.59

Alichem
6-Benzyl-1-(ethoxymethyl)-5-isopropyluracil
50mg
$ 819.00

Total 10 raw suppliers

Chemical Property of Emivirine

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：64.09000
Density:1.133g/cm³
LogP:2.24480
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:302.16304257
Heavy Atom Count:22
Complexity:451

Purity/Quality:

99% ^*data from raw suppliers

6-Benzyl-1-(ethoxymethyl)-5-isopropylpyrimidine-2,4(1H,3H)-dione 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Moderately toxic by ingestion.
Hazard Codes:Moderately toxic by ingestion.

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOCN1C(=C(C(=O)NC1=O)C(C)C)CC2=CC=CC=C2
Recent ClinicalTrials:The Safety and Effectiveness of Didanosine Plus Stavudine Plus Nevirapine Combined With MKC-442 in HIV-Infected Patients Who Have Not Had Success With Protease Inhibitors
Uses Treatment of HIV-1 infections (non-nucleoside reverse transcriptase inhibitor). Emivirine can be used to treat disease cause by SARS-CoV-2

Technology Process of Emivirine

There total 23 articles about Emivirine 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: 91.5%

: 176519-55-4
6-benzyl-5-isopropylpyrimidine-2,4(1H,3H)-dione

: 3188-13-4
ethyl chloromethyl ether

: 149950-60-7
Emivirine

Guidance literature:: 6-benzyl-5-isopropylpyrimidine-2,4(1H,3H)-dione; With N,O-bis-(trimethylsilyl)-acetamide; In dichloromethane;

ethyl chloromethyl ether; With lithium iodide; In dichloromethane; at 20 ℃; for 3h;
DOI:10.1002/jhet.987

Reference yield: 90.0%

: 462-95-3
formaldehyde diethyl acetal

: 176519-55-4
6-benzyl-5-isopropylpyrimidine-2,4(1H,3H)-dione

: 149950-60-7
Emivirine

Guidance literature:: With benzenesulfonamide; trimethylsilyl trifluoromethanesulfonate; In acetonitrile; at -45 - 20 ℃; for 3.5h;
DOI:10.1021/ol061295+

Reference yield: 85.0%

: 161061-33-2
6-(acetoxyphenylmethyl)-1-(ethoxymethyl)-5-isopropyluracil

: 149950-60-7
Emivirine

Guidance literature:: With hydrogen; acetic acid; palladium on activated charcoal; In 1,4-dioxane; at 60 ℃; for 15h; under 760 Torr;
DOI:10.1021/jm00015a008