Argatroban

CAT: 0804-HY-B0375-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-B0375-01Size:5 mg

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Description

Argatroban (MD-805) is a direct, selective thrombin inhibitor.

CAS Number

74863-84-6

Product Name Alternative

MD-805; MCI-9038

UNSPSC

12352005

Hazard Statement

H302, H315, H319, H335

Target

Thrombin

Type

Reference compound

Related Pathways

Metabolic Enzyme/Protease

Applications

Neuroscience-Neuromodulation

Field of Research

Cardiovascular Disease; Cancer

Assay Protocol

https://www.medchemexpress.com/argatroban.html

Purity

99.88

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

O=C([C@@H]1N(C([C@@H](NS(=O)(C2=CC=CC3=C2NCC(C)C3)=O)CCCNC(N)=N)=O)CC[C@@H](C)C1)O

Molecular Formula

C23H36N6O5S

Molecular Weight

508.63

Precautions

H302, H315, H319, H335

References & Citations

[1]Kawada, T., et al., Argatroban, an attractive anticoagulant, for left heart bypass with centrifugal pump for repair of traumatic aortic rupture. Jpn J Thorac Cardiovasc Surg, 1999. 47 (3) : p. 104-9.|[2]Jang, I.K., et al., A multicenter, randomized study of argatroban versus heparin as adjunct to tissue plasminogen activator (TPA) in acute myocardial infarction: myocardial infarction with novastan and TPA (MINT) study. J Am Coll Cardiol, 1999. 33 (7) : p. 1879-85.

Shipping Conditions

Room Temperature

Storage Conditions

4°C (Powder, protect from light)

Scientific Category

Reference compound1

Clinical Information

Launched

Citation 01

Biomed Pharmacother. 2025 Apr 28:187:118104.|Int Immunopharmacol. 2025 Apr 4:151:114334.|Int J Mol Sci. 2021 Mar 24;22 (7) :3323.|University of Bonn. 2023 May 31.|Antiviral Res. 2023 Jun:214:105606.

Chemical Information

Argatroban

(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic acid is a peptide.

CAS Number	74863-84-6
PubChem CID	92722
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
Molecular Formula	C23H36N6O5S
Molecular Weight	508.6
XLogP	1.3
Topological Polar Surface Area	189
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Heavy Atom Count	35
Formal Charge	0
Complexity	887

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

InChI

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

InChIKey

KXNPVXPOPUZYGB-IOVMHBDKSA-N

Chemical Structure

2D Structure

CAS: 74863-84-6

CID: 92722

Formula: C23H36N6O5S

MW: 508.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	508.6
XLogP3	1.3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	508.24678944
Monoisotopic Mass	508.24678944
Topological Polar Surface Area	189 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	887
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
9670-10	Argatroban

Argatroban

Chemical Information

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