Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Indinavir is a member of the novel hydroxyaminopentane amide class of HIV-1 protease inhibitors.
| pKa | pKa: 5.19 (Predicted) |
|---|---|
| Datos Ki | Human immunodeficiency virus type 1 protease: Ki= 0.07 nM (Human immunodeficiency virus 1); Human rhinovirus A protease: Ki= 3.3 nM (Human rhinovirus sp.); Cytochrome P450 3A4: Ki= 480 nM (human) |
| Sonrisas canónicas | CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CN=CC=C5 |
|---|---|
| IUPAC Name | (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide |
| InChIKey | CBVCZFGXHXORBI-PXQQMZJSSA-N |
| INCHI | 1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1 |
| Isómeros SMILES | CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5 |
| Peso molecular | 613.81 |
| Reaxy-Rn | 24800856 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24800856&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 |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid amides |
| Alternative Parents | Indanes Piperazine carboxamides Aralkylamines N-alkylpiperazines Benzene and substituted derivatives N-acyl amines Pyridines and derivatives Heteroaromatic compounds Secondary alcohols Trialkylamines Secondary carboxylic acid amides 1,2-aminoalcohols Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid amide - Indane - Piperazine-2-carboxamide - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - Fatty amide - N-acyl-amine - Piperazine - Pyridine - Benzenoid - Fatty acyl - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - 1,2-aminoalcohol - Carboxamide group - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Amine - Organic oxide - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. |
| External Descriptors | dicarboxylic acid diamide - N-(2-hydroxyethyl)piperazine - piperazinecarboxamide |
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| Solubilidad | Soluble in water (0.02 mg/mL).(unbuffered) |
|---|---|
| Índice de refracción | n20D1.64 |
| Rotación específica [α] | α20/D +24.1°, c = 0.01 in chloroform |
| Punto de ebullición (°C) | 877.89° C at 760 mmHg |
| Punto de fusión (°C) | 153-154° C |
| Peso molecular | 613.800 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 12 |
| Exact Mass | 613.363 Da |
| Monoisotopic Mass | 613.363 Da |
| Topological Polar Surface Area | 118.000 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 952.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| 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. Qing Shen, Huijuan Yang, Yunyan Li, Shiyan Li, Kang Chen, Honghai Wang, Haixing Wang, Jianfeng Ma. (2022) Rapid determination of antiviral drugs in yellow catfish (Pelteobagrus fulvidraco) using graphene/silica nanospheres (G/KCC-1) based pipette tip solid-phase extraction with ultra-performance liquid chromatography-tandem mass spectrometry. JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES, [PMID:35007897] [10.1016/j.jchromb.2022.123097] |
| 2. Xia Lv, Xin-Xin Wang, Jie Hou, Zhong-Ze Fang, Jing-Jing Wu, Yun-Feng Cao, Shu-Wen Liu, Guang-Bo Ge, Ling Yang. (2016) Comparison of the inhibitory effects of tolcapone and entacapone against human UDP-glucuronosyltransferases. TOXICOLOGY AND APPLIED PHARMACOLOGY, [PMID:27089846] [10.1016/j.taap.2016.04.009] |