Argatroban - Moligand™, ≥98% , Thrombin inhibitor, CAS No.74863-84-6, Thrombin inhibitor

CAS: 74863-84-6 Cat. No.: A129916 Molecular Weight: 508.63 EC Number: 638-764-8
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
Synonyms
CCG-100933 | NC00183 | Argatrobanum | (2R,4R)-1-((2S)-5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)pentanoyl)-4-methylpiperidine-2-carboxylic acid | (2R,4R)-1-[(2S)-5-[(diaminomethylidene)amino]-2-[(3R)-3-methyl-1,2,3,4-tetrahydroquin
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
A129916-5mg
2
$41.90
25mg
A129916-25mg
3
$144.90
100mg
A129916-100mg
3
$400.90
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 7 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Argatroban is an anticoagulant that is a small molecule direct thrombin inhibitor.
A peptidomimetic small molecule anticoagulant and direct thrombin inhibitor.

Specifications

Synonyms
CCG-100933 | NC00183 | Argatrobanum | (2R, 4R)-1-((2S)-5-Guanidino-2-(3-methyl-1, 2, 3, 4-tetrahydroquinoline-8-sulfonamido)pentanoyl)-4-methylpiperidine-2-carboxylic acid | (2R, 4R)-1-[(2S)-5-[(diaminomethylidene)amino]-2-[(3R)-3-methyl-1, 2, 3, 4-tetrahydroquin
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
Potent inhibitor of thrombin mediated fibrinogen cleavage (Ki= 19 nM). Competitive inhibitor of thrombin-induced platelet activation and clotting. Shown to exhibit antithrombotic activity in animal models.This compound is a mixture of 2 diastereomers (app
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Thrombin inhibitor
Purity
≥98%
Product Properties
ALogP1.3
Names and Identifiers
Canonical SmilesCC1CCN(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
InChIKeyKXNPVXPOPUZYGB-IOVMHBDKSA-N
INCHI1S/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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Peptides
Direct ParentDipeptides
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 FrameworkAromatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
F2 Tclin Prothrombin (24 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
F2 Tclin Thrombin (11687 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PLG Tclin Plasminogen (2339 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PRSS1 Tclin Trypsin I (2306 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
F10 Tclin Coagulation factor X (9693 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PLAT Tclin Tissue-type plasminogen activator (1057 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
F2 Tclin Thrombin & trypsin (271 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
F2 Tclin Thrombin and urokinase-type plasminogen activator (31 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
F2 Tclin Thrombin and coagulation factor X (145 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Trypsin (394 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeDateItem
G2222057Certificate of AnalysisFeb 04, 2026 A129916
G2222059Certificate of AnalysisFeb 04, 2026 A129916
G2222060Certificate of AnalysisFeb 04, 2026 A129916
C2316609Certificate of AnalysisDec 13, 2024 A129916
Chemical and Physical Properties
SolubilitySolvent:DMSO, Max Conc. mg/mL: 50.86, Max Conc. mM: 100; Solvent:1eq. HCl, Max Conc. mg/mL: 5.09, Max Conc. mM: 10
SensitivityMoisture & Light & Heat sensitive
Melt Point(°C)180°C
Molecular Weight508.600 g/mol
XLogP31.300
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass508.247 Da
Monoisotopic Mass508.247 Da
Topological Polar Surface Area189.000 Ų
Heavy Atom Count35
Formal Charge0
Complexity887.000
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
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]
Solution Calculators
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