CAS 159776-70-2|Melagatran

Introduction：Basic information about CAS 159776-70-2|Melagatran, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Melagatran BiologicalActivity
3. Chemical & Physical Properties
4. Synonyms

Common Name	Melagatran
CAS Number	159776-70-2	Molecular Weight	429.51300
Density	1.41g/cm3	Boiling Point	/
Molecular Formula	C₂₂H₃₁N₅O₄	Melting Point	/
MSDS	/	Flash Point	/

Names

Name	melagatran
Synonym	More Synonyms

Melagatran BiologicalActivity

Description	Melagatran is a direct and oral active inhibitor of thrombin, without interacting with any other enzymes in the coagulation cascade or fibrinolytic enzymes aside from thrombin. Melagatran does not require endogenous co-factors for its antithrombin effect and may help to alleviate some of the damaging effects of endotoxemia[1]. Melagatran has the potential to provide a rational approach in the prevention of arterial occlusion[2].
Related Catalog	Research Areas >>Cardiovascular DiseaseSignaling Pathways >>Metabolic Enzyme/Protease >>Thrombin
Target	Thrombin[1]
References	[1]. Eriksson M, et al. Effects of melagatran, a novel direct thrombin inhibitor, during experimental septic shock. Expert Opin Investig Drugs. 2000 May;9(5):1129-37. [2]. Mehta JL, et al. Melagatran, an oral active-site inhibitor of thrombin, prevents or delays formation of electrically induced occlusive thrombus in the canine coronary artery. J Cardiovasc Pharmacol. 1998 Mar;31(3):345-51.

Chemical & Physical Properties

Density	1.41g/cm3
Molecular Formula	C₂₂H₃₁N₅O₄
Molecular Weight	429.51300
Exact Mass	429.23800
PSA	148.61000
LogP	2.33060
Index of Refraction	1.67
InChIKey	DKWNMCUOEDMMIN-PKOBYXMFSA-N
SMILES	N=C(N)c1ccc(CNC(=O)C2CCN2C(=O)C(NCC(=O)O)C2CCCCC2)cc1

Synonyms

2-[[(1R)-2-[(2S)-2-[(4-carbamimidoylphenyl)methylcarbamoyl]azetidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]acetic acid

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