CAS 88546-74-1|H-D-Pro-Phe-Arg-chloromethylketone trifluoroacetate salt

Introduction:Basic information about CAS 88546-74-1|H-D-Pro-Phe-Arg-chloromethylketone trifluoroacetate salt, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameH-D-Pro-Phe-Arg-chloromethylketone trifluoroacetate salt
CAS Number88546-74-1Molecular Weight450.96200
Density/Boiling Point/
Molecular FormulaC21H31ClN6O3Melting Point/
MSDS/Flash Point/

Names

Name(2R)-N-[(2S)-1-[[(3S)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
SynonymMore Synonyms

BiologicalActivity

DescriptionD-Pro-Phe-Arg-Chloromethylketone, a inhibitor of coagulation factor XII and plasma kallikrein, plays an important role in thrombosis and inflammation[1].
Related CatalogResearch Areas >>Cardiovascular DiseaseResearch Areas >>Neurological DiseaseSignaling Pathways >>Metabolic Enzyme/Protease >>Factor Xa
References

[1]. Katrin F Nickel, et al. Factor XII as a Therapeutic Target in Thromboembolic and Inflammatory Diseases. Arterioscler Thromb Vasc Biol. 2017 Jan;37(1):13-20.  

Chemical & Physical Properties

Molecular FormulaC21H31ClN6O3
Molecular Weight450.96200
Exact Mass450.21500
PSA149.20000
LogP2.32340
InChIKeyHCCRRLVJBLDSLL-BBWFWOEESA-N
SMILESNC(N)=NCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1)C(=O)CCl

Synonyms

D-Pro-Phe-Arg chloromethyl ketone
D-Pro-Phe-Arg chloromethyl ketone (PCK)
L-Phenylalaninamide,D-prolyl-N-[4-[(aminoiminomethyl)amino]-1-(chloroacetyl)butyl]-,(S)
H-D-Pro-Phe-Arg-chloromethylketone
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