Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 7 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Argatroban is an anticoagulant that is a small molecule direct thrombin inhibitor.
A peptidomimetic small molecule anticoagulant and direct thrombin inhibitor.
| ALogP | 1.3 |
|---|
| Canonical Smiles | CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C |
|---|---|
| IUPAC Name | (2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid |
| InChIKey | KXNPVXPOPUZYGB-IOVMHBDKSA-N |
| INCHI | 1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1 |
| Isomeric SMILES | C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C |
| Molecular Weight | 508.63 |
| Reaxy-Rn | 24866985 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24866985&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 | Peptides |
| Direct Parent | Dipeptides |
| Alternative Parents | Alpha amino acid amides Hydroquinolines Piperidinecarboxylic acids N-acylpiperidines Secondary alkylarylamines Aralkylamines Organosulfonamides Benzenoids Tertiary carboxylic acid amides Aminosulfonyl compounds Amino acids Guanidines Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Imines Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-dipeptide - Alpha-amino acid amide - Alpha-amino acid or derivatives - Tetrahydroquinoline - Piperidinecarboxylic acid - N-acyl-piperidine - Secondary aliphatic/aromatic amine - Aralkylamine - Piperidine - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Aminosulfonyl compound - Amino acid or derivatives - Carboxamide group - Amino acid - Guanidine - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboximidamide - Secondary amine - Amine - Imine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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 | Feb 04, 2026 | A129916 | |
| Certificate of Analysis | Feb 04, 2026 | A129916 | |
| Certificate of Analysis | Feb 04, 2026 | A129916 | |
| Certificate of Analysis | Dec 13, 2024 | A129916 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 50.86, Max Conc. mM: 100; Solvent:1eq. HCl, Max Conc. mg/mL: 5.09, Max Conc. mM: 10 |
|---|---|
| Sensitivity | Moisture & Light & Heat sensitive |
| Melt Point(°C) | 180°C |
| Molecular Weight | 508.600 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 508.247 Da |
| Monoisotopic Mass | 508.247 Da |
| Topological Polar Surface Area | 189.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 887.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Ru Li, Xuan Zou, Pan Luan, Xiaokun Liu, Ning Wang, Qian Wang, Huashi Guan, Zhe Xu. (2022) Direct Determination of Enzymes in Dried Blood Spots by High-Performance Liquid Chromatography – Mass Spectrometry (HPLC-MS) for the Screening of Antithrombotic Agents. ANALYTICAL LETTERS, [PMID:] [10.1080/00032719.2022.2053700] |
| 2. Zhe Xu, Ruonan Liu, Huashi Guan. (2017) Dual-target inhibitor screening against thrombin and factor Xa simultaneously by mass spectrometry. ANALYTICA CHIMICA ACTA, [PMID:29029731] [10.1016/j.aca.2017.07.063] |
| 3. Xiaoxuan Fan, Shuxian Zhang, Keshuai Liu, Xiaofei Wang, Hui Yuan, Zhiping Lv, Lijuan Ma, Xueqin Ma, Xia Zhang, Guoning Chen. (2024) Integration of paper-based colorimetric microdevice and magnetic nanoparticles affinity for high-throughput capture of antimicrobial resistance-reversing agent from complex natural products. BIOSENSORS & BIOELECTRONICS, [PMID:39752886] [10.1016/j.bios.2024.117107] |
| 4. Shuxian Zhang, Xiaofei Wang, Jili Han, Xiaoxuan Fan, Keshuai Liu, Lingling Yang, Hao Yang, Xiaofei Chen, Xueqin Ma, Guoning Chen. (2025) Precise Identification of Inhibitors for Coagulation Reactions from Complex Extracts through Monitoring of Biological Aggregates Combined with a Targeted Fishing Technique. ANALYTICAL CHEMISTRY, [PMID:40073066] [10.1021/acs.analchem.4c07092] |
| 5. Lv Keyu, Chen Shuai, Xu Xulin, Chiu Joyce, Wang Haoqing J., Han Yunyun, Yang Xiaodan, Bowley Sheryl R., Wang Hao, Tang Zhaoming, Tang Ning, Yang Aizhen, Yang Shuofei, Wang Jinyu, Jin Si, Wu Yi, Schmaier Alvin H., Ju Lining A., Hogg Philip J., Fang Chao. (2024) Protein disulfide isomerase cleaves allosteric disulfides in histidine-rich glycoprotein to regulate thrombosis. Nature Communications, 15 (1): (1-19). [PMID:38605050] [10.1038/s41467-024-47493-0] |
| 6. Qian Qin, Jinwei Zhang, Guo Feng, Yinhao Liao, Youli Chen, Caiyao Han, Yan Lei, Kexin Ma, Wei Li, Yibao Jin, Jinxi Wang, Ping Wang, Bing Wang, Xie-an Yu. (2026) Exploring the changes in anticoagulant active ingredients before and after bovine bile fermentation of the traditional Chinese medicine Yaomu via an aggregation-induced emission fluorescence sensor. RSC Advances, 16 (6): (5220-5227). [PMID:41584138] [10.1039/d5ra09117a] |
| 7. Lingling Yang, Shuxian Zhang, Xiaoxuan Fan, Keshuai Liu, Rui Mai, Wangyan Zhao, Qiang Han, Yongjian Ai, Qionglin Liang, Xueqin Ma, Guoning Chen. (2026) Rapid and Sensitive Screening of Carbonic Anhydrase Natural Inhibitors in Traditional Chinese Medicine via a Carbon Quantum Dot-Affinity Adsorption Nanosystem. Journal of Pharmaceutical Analysis, [PMID:] [10.1016/j.jpha.2026.101607] |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →