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Melagatran - ≥95%, high purity , CAS No.159776-70-2, Inhibitor of coagulation factor II; thrombin
a thrombin mutant anticoagulant antagonist.
Basic Description Synonyms 159776-70-2 (free base) | Q27084209 | ((R)-2-((S)-2-((4-carbamimidoylbenzyl)carbamoyl)azetidin-1-yl)-1-cyclohexyl-2-oxoethyl)glycine | BBL000591 | N-((R)-(((2S)-2-((p-Amidinobenzyl)carbamoyl)-1-azetidinyl)carbonyl)cyclohexylmethyl)glycine | SMR000272989 | Specifications & Purity Moligand™, ≥95% Storage Temp Store at -20°C Shipped In Ice chest + Ice pads Grade Moligand™ Action Type INHIBITOR Mechanism of action Inhibitor of coagulation factor II; thrombin Product Description Melagatran is an agent which functions by preventing tissue factor expression in human platelet-monocyte heterotypic complexes. Studies indicate that Melagatran causes fibrinolytic activity in PRP clot models, which is comparable to that observed in platelet-poor models which consist of tissue factor-induced clots. In addition, these studies determined that the fibrinolysis ability of Melagatran is not affected by the presence of platelets. Melagatran effects platelet aggregation in a dose dependent manner, with low concentration having the greater effectiveness. Also it has been suggested that Melagatran can differentially inhibit γ-thrombin/PAR-4 receptors over α-thrombin/PAR-1 receptors.
Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Names and Identifiers IUPAC Name 2-[[(1R)-2-[(2S)-2-[(4-carbamimidoylphenyl)methylcarbamoyl]azetidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]acetic acid INCHI InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1 InChi Key DKWNMCUOEDMMIN-PKOBYXMFSA-N Canonical SMILES C1CCC(CC1)C(C(=O)N2CCC2C(=O)NCC3=CC=C(C=C3)C(=N)N)NCC(=O)O Isomeric SMILES C1CCC(CC1)[C@H](C(=O)N2CC[C@H]2C(=O)NCC3=CC=C(C=C3)C(=N)N)NCC(=O)O PubChem CID 183797 Molecular Weight 429.51
Chemical and Physical Properties Solubility Soluble in Methanol Melt Point(°C) 172-177° C
Safety and Hazards(GHS) Pictogram(s) GHS07 Signal Warning Hazard Statements H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
Precautionary Statements P261: Avoid breathing dust/fume/gas/mist/vapors/spray.
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing.
P280: Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352: IF ON SKIN: wash with plenty of water.
P321: Specific treatment (see ... on this label).
P405: Store locked up.
P501: Dispose of contents/container to ...
P264: Wash hands [and …] thoroughly after handling.
P271: Use only outdoors or in a well-ventilated area.
P304+P340: IF INHALED: Remove person to fresh air and keep comfortable for breathing.
P403+P233: Store in a well-ventilated place. Keep container tightly closed.
P362+P364: Take off contaminated clothing and wash it before reuse.
P264+P265: Wash hands [and …] thoroughly after handling. Do not touch eyes.
P337+P317: If eye irritation persists: Get medical help.
P332+P317: If skin irritation occurs: Get medical help.
P319: Get medical help if you feel unwell.
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