Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% 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 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Used in cell signaling and immunology studies.
| ALogP | 4.2 |
|---|
| Sonrisas canónicas | CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(C(CC3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O |
|---|---|
| IUPAC Name | (2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide |
| InChIKey | QWAXKHKRTORLEM-UGJKXSETSA-N |
| INCHI | 1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1 |
| Isómeros SMILES | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O |
| PubChem CID | 441243 |
| Peso molecular | 670.84 |
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 | Organoheterocyclic compounds |
| Clase | Quinolines and derivatives |
| Subclass | Quinoline carboxamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinoline carboxamides |
| Alternative Parents | Phenylbutylamines Amphetamines and derivatives Pyridinecarboxylic acids and derivatives Piperidinecarboxamides 2-heteroaryl carboxamides Aralkylamines Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinoline-2-carboxamide - Phenylbutylamine - Amphetamine or derivatives - 2-piperidinecarboxamide - Piperidinecarboxamide - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Aralkylamine - Monocyclic benzene moiety - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Alcohol - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as quinoline carboxamides. These are quinolines in which the quinoline ring system is substituted by one or more carboxamide groups. |
| External Descriptors | quinolines - L-asparagine derivative |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Jun 15, 2026 | S126514 | |
| Certificate of Analysis | Jun 11, 2026 | S126514 | |
| Certificate of Analysis | Aug 25, 2025 | S126514 | |
| Certificate of Analysis | Apr 15, 2025 | S126514 | |
| Certificate of Analysis | Apr 25, 2024 | S126514 | |
| Certificate of Analysis | Apr 25, 2024 | S126514 |
| Solubilidad | DMSO |
|---|---|
| Peso molecular | 670.800 g/mol |
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 13 |
| Exact Mass | 670.384 Da |
| Monoisotopic Mass | 670.384 Da |
| Topological Polar Surface Area | 167.000 Ų |
| Heavy Atom Count | 49 |
| Formal Charge | 0 |
| Complexity | 1140.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| 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. Fenglun Zhao, Zheng Xiang, Junping Han, Jie Pan, Yuchen Qu, Kai Fan, Zhiqiang Wu, Delai Xu, Yunli Yu, Zhu Shen, Cunjin Su. (2023) Simultaneous quantification of nirmatrelvir/ritonavir in human serum by LC–HRMS. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, [PMID:37839266] [10.1016/j.jpba.2023.115796] |
| 2. 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] |
| 3. Xin Meng, Ye Wang. (2021) Drug Repurposing for Influenza Virus Polymerase Acidic (PA) Endonuclease Inhibitor. MOLECULES, 26 (23): (7326). [PMID:34885905] [10.3390/molecules26237326] |
| 4. Lili Wu, Wanping Zhong, Junjin Liu, Weichao Han, Shilong Zhong, Qiang Wei, Shuwen Liu, Lan Tang. (2015) Human microsomal cyttrochrome P450-mediated reduction of oxysophocarpine, an active and highly toxic constituent derived from Sophora flavescens species, and its intestinal absorption and metabolism in rat. FITOTERAPIA, [PMID:26045316] [10.1016/j.fitote.2015.05.021] |
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