Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Lopinavir is an antiviral HIV Protease Inhibitor. Lopinavir has insufficient bioavailability alone, so it is used in therapy in combination with Ritonavir, a HIV protease inhibitor, which inhibits cytochrome P450-3A4 (CYP3A4), a liver enzyme that normally metabolizes protease inhibitors. Lopinavir also has an ability to inhibit ZMPSTE24 (zinc metallopeptidase STE24).
Lopinavir has been used as a ZMPSTE24 and human immunodeficiency virus protease inhibitor.
| ALogP | 5.9 |
|---|
| Pubchem Sid | 504756128 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756128 |
| Canonical Smiles | CC1=C(C(=CC=C1)C)OCC(=O)NC(CC2=CC=CC=C2)C(CC(CC3=CC=CC=C3)NC(=O)C(C(C)C)N4CCCNC4=O)O |
| IUPAC Name | (2S)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide |
| InChIKey | KJHKTHWMRKYKJE-SUGCFTRWSA-N |
| INCHI | 1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1 |
| Isomeric SMILES | CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O |
| Molecular Weight | 628.8 |
| Reaxy-Rn | 25287947 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25287947&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Valine and derivatives |
| Alternative Parents | Amphetamines and derivatives m-Xylenes Phenol ethers Phenoxy compounds Alkyl aryl ethers Pyrimidones Diazinanes N-acyl amines Secondary carboxylic acid amides Ureas Secondary alcohols Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Valine or derivatives - Amphetamine or derivatives - Phenoxy compound - Phenol ether - M-xylene - Xylene - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - 1,3-diazinane - Fatty amide - Fatty acyl - N-acyl-amine - Benzenoid - Pyrimidine - Secondary alcohol - Secondary carboxylic acid amide - Urea - Carboxamide group - Carbonic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | dicarboxylic acid diamide - amphetamines |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jan 26, 2026 | L129320 | |
| Certificate of Analysis | Jan 26, 2026 | L129320 | |
| Certificate of Analysis | Jan 26, 2026 | L129320 | |
| Certificate of Analysis | Dec 12, 2025 | L129320 | |
| Certificate of Analysis | Dec 12, 2025 | L129320 | |
| Certificate of Analysis | Dec 12, 2025 | L129320 | |
| Certificate of Analysis | Dec 12, 2025 | L129320 | |
| Certificate of Analysis | Dec 12, 2025 | L129320 | |
| Certificate of Analysis | Nov 09, 2024 | L129320 | |
| Certificate of Analysis | Sep 21, 2023 | L129320 |
| Solubility | Soluble in DMF (~14 mg/ml), methanol, DMSO (126 mg/ml at 25 °C), water (< 1 mg/ml at 25 °C), and ethanol (126 mg/ml at 25 °C). |
|---|---|
| Melt Point(°C) | 124-127°C |
| Molecular Weight | 628.800 g/mol |
| XLogP3 | 5.900 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 15 |
| Exact Mass | 628.362 Da |
| Monoisotopic Mass | 628.362 Da |
| Topological Polar Surface Area | 120.000 Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 0 |
| Complexity | 940.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Dai Tianming, Wang Min, Wang Pengzhen, Dai Libing, Dai Renke, Meng Qingqi. (2021) Inhibition effects of eight anti-coronavirus drugs on glycosides metabolism and glycosidases in human gut microflora. PHARMAZIE, 76 (5): (195-201). [PMID:33964992] [10.1691/ph.2021.01005] |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →