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JE-2147

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Category HIV Protease
CAS 186538-00-1
Description JE-2147 is a dipeptide HIV protease inhibitor (PI) that is effective against a wide spectrum of HIV-1, HIV-2, simian immunodeficiency virus, and various clinical HIV-1 strains in vitro.
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Product Information

Synonyms JE-2147;186538-00-1;KNI-764;AG1776;AG 1776;CHEMBL300891;(4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide;(4r)-3-{(2s,3s)-2-Hydroxy-3-[(3-Hydroxy-2-Methylbenzoyl)amino]-4-Phenylbutanoyl}-5,5-Dimethyl-N-(2-Methylbenzyl)-1,3-Thiazolidine-4-Carboxamide;(4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]thiazolidine-4-carboxamide;(R)-3-((2S,3S)-2-Hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-phenylbutanoyl)-5,5-dimethyl-N-(2-methylbenzyl)thiazolidine-4-carboxamide;1msn;4-Thiazolidinecarboxamide, 3-((2S,3S)-2-hydroxy-3-((3-hydroxy-2-methylbenzoyl)amino)-1-oxo-4-phenylbutyl)-5,5-dimethyl-N-((2-methylphenyl)methyl)-, (4R)-;JE2;1kzk;1msm;2anl;(4R)-3-[(2S,3S)-2-Hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-5,5-dimethyl-N-(o-tolylmethyl)thiazolidine-4-carboxamide;4-Thiazolidinecarboxamide, 3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-1-oxo-4-phenylbutyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-, (4R)-;SCHEMBL417698;DTXSID30171914;CUFQBQOBLVLKRF-RZDMPUFOSA-N;BDBM50288366;AKOS027461139;DB02668;DA-54522;HY-100212;SM-319777;CS-0018263;NS00069626;JE-2147; AG1776; KNI-764;Q27461688;(4R)-3-[(2S,3S)-2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenyl-butyryl]-5,5-dimethyl-thiazolidine-4-carboxylic acid 2-methyl-benzylamide;(4R)-3-[(2S,3S)-2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)4-phenyl-butyryl]-5,5-dimethyl-thiazolidine-4-carboxylic acid 2-methyl-benzylamide;
IUPAC Name (4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
Molecular Weight 575.72
Molecular Formula C32H37N3O5S
Canonical SMILES CC(C=CC=C1)=C1CNC([C@H]2N(CSC2(C)C)C([C@@H](O)[C@@H](NC(C3=C(C(O)=CC=C3)C)=O)CC4=CC=CC=C4)=O)=O
InChI InChI=1S/C32H37N3O5S/c1-20-11-8-9-14-23(20)18-33-30(39)28-32(3,4)41-19-35(28)31(40)27(37)25(17-22-12-6-5-7-13-22)34-29(38)24-15-10-16-26(36)21(24)2/h5-16,25,27-28,36-37H,17-19H2,1-4H3,(H,33,39)(H,34,38)/t25-,27-,28+/m0/s1
InChIKey CUFQBQOBLVLKRF-RZDMPUFOSA-N
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

QC Data

Description of First Aid Measures

Eye contact

Remove any contact lenses, locate eye-wash station, and flush eyes immediately with large amounts of water. Separate eyelids with fingers to ensure adequate flushing. Promptly call a physician.

Skin contact

Rinse skin thoroughly with large amounts of water. Remove contaminated clothing and shoes and call a physician.

Inhalation

Immediately relocate self or casualty to fresh air. If breathing is difficult, give cardiopulmonary resuscitation (CPR). Avoid mouth-to-mouth resuscitation.

Ingestion

Wash out mouth with water; Do NOT induce vomiting; call a physician.

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