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Argatroban Monohydrate - >99.0%(HPLC), high purity , CAS No.141396-28-3

1 Citations

COA

Grade & Purity:

≥99%(HPLC)

Cas Number: 141396-28-3
Molecular Weight: 508.64
MDL number: MFCD00895735
PubChem CID: 92721
PubChem SID: 504756127

In stock

Item Number

A151030

Grouped product items
SKU	Size	Availability	Price
A151030-5mg	5mg	3	$56.90
A151030-25mg	25mg	3	$216.90
A151030-50mg	50mg	2	$389.90
A151030-100mg	100mg	2	$701.90
A151030-250mg	250mg	4	$1,579.90
A151030-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$5,684.90

Potent competitive thrombin inhibitor

View related series

Amino Acid/Protein Metabolism (1836) Metabolic Enzyme/Protease (4860) Pyridines (1259) Six-Membered Heterocyclic Compounds (1696) Thrombin (39)

Basic Description

Synonyms	Methanone, (2-methyl-1-propyl-1H-indol-3-yl)-1-naphthalenyl- \| BCP09304 \| Serisol Fast Yellow PL \| (2R,4R)-1-[(2S)-5-carbamimidamido-2-(3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)pentanoyl]-4-methylpiperidine-2-carboxylic acid hydrate \| Exembol \|
Specifications & Purity	≥99%(HPLC)
Biochemical and Physiological Mechanisms	Potent competitive thrombin inhibitor ( K i = 19 nM). Anticoagulant activity. Active in vivo .
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Note	Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Peptides
        Level6 Dipeptides

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 Benzenoids Organosulfonamides Tertiary carboxylic acid amides Aminosulfonyl compounds Amino acids Guanidines Carboxylic acids Carboximidamides Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Alpha-dipeptide - Alpha-amino acid amide - Alpha-amino acid or derivatives - Tetrahydroquinoline - N-acyl-piperidine - Piperidinecarboxylic acid - 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 - Amino acid - Carboxamide group - Guanidine - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboximidamide - Secondary amine - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - 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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504756127
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756127
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;hydrate
INCHI	InChI=1S/C23H36N6O5S.H2O/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);1H2/t14-,15?,17+,18-;/m1./s1
InChIKey	AIEZTKLTLCMZIA-CZSXTPSTSA-N
Smiles	CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C.O
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.O
WGK Germany	3
RTECS	TM6126610
PubChem CID	92721
Molecular Weight	508.64

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.

7 results found

Lot Number	Certificate Type	Date	Item
B2519092	Certificate of Analysis	Feb 22, 2025	A151030
A2007109	Certificate of Analysis	Oct 07, 2023	A151030
A2003002	Certificate of Analysis	Sep 28, 2023	A151030
H2309574	Certificate of Analysis	Aug 16, 2023	A151030
A2425082	Certificate of Analysis	Aug 16, 2023	A151030
C2306846	Certificate of Analysis	Mar 16, 2023	A151030
B2228040	Certificate of Analysis	Mar 07, 2022	A151030

Chemical and Physical Properties

Solubility	Insoluble in water; Slightly soluble in Methanol; Very slightly soluble in Ethanol; Insoluble in Acetone,Ether
Sensitivity	Light Sensitive,Heat Sensitive
Specific Rotation[α]	165° (C=0.8,MeOH)
Melt Point(°C)	180 °C(dec.)
Molecular Weight	526.700 g/mol
XLogP3
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Exact Mass	526.257 Da
Monoisotopic Mass	526.257 Da
Topological Polar Surface Area	190.000 Å²
Heavy Atom Count	36
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	2

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