CAS 1013937-63-7|VTP 27999 trifluoroacetate

Introduction:Basic information about CAS 1013937-63-7|VTP 27999 trifluoroacetate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameVTP 27999 trifluoroacetate
CAS Number1013937-63-7Molecular Weight639.10400
Density/Boiling Point/
Molecular FormulaC28H42ClF3N4O7Melting Point/
MSDS/Flash Point/

Names

Namemethyl N-[2-[(3-chlorophenyl)-[(3R)-1-[[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]carbamoyl]piperidin-3-yl]methoxy]ethyl]carbamate,2,2,2-trifluoroacetic acid
SynonymMore Synonyms

VTP 27999 trifluoroacetate BiologicalActivity

DescriptionVTP-27999 2,2,2-trifluoroacetate is an alkyl amine Renin inhibitor; VTP-27999 is useful for Hypertension and End-Organ Diseases.Ic50 value:Target: Renin
Related CatalogSignaling Pathways >>Metabolic Enzyme/Protease >>ReninResearch Areas >>Cardiovascular Disease
References

[1]. New renin inhibitor VTP-27999 alters renin immunoreactivity and does not unfold prorenin. Hypertension. 2013 May;61(5):1075-1082.

[2]. Lanqi Jia? et al. Discovery of VTP-27999, an Alkyl Amine Renin Inhibitor with Potential for Clinical Utility ACS Med. Chem. Lett., 2011, 2 (10), pp 747-751

[3]. Ishchenko A, et al. Structure-based design technology contour and its application to the design of Renin inhibitors.J Chem Inf Model. 2012 Aug 27;52(8):2089-97. Epub 2012 Jul 25.

Chemical & Physical Properties

Molecular FormulaC28H42ClF3N4O7
Molecular Weight639.10400
Exact Mass638.26900
PSA138.46000
LogP5.32390
InChIKeySYWYSVAEGXHOJO-UHFFFAOYSA-N
SMILESCNC(CNC(=O)N1CCCC(C(OCCNC(=O)OC)c2cccc(Cl)c2)C1)CC1CCCOC1.O=C(O)C(F)(F)F

Synonyms

methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-2-(methylamino)-3-((R)-tetrahydro-2H-pyran-3-yl)propylcarbamoyl)piperidin-3-yl)methoxy)ethylcarbamate trifluoroacetate
CS-0312
methyl {2-[((R)-(3-chlorophenyl){(3R)-1-[({(2S)-2-(methyl-amino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propyl}amino)carbonyl]-3-piperidinyl}methyl)oxy]ethyl}carbamate trifluoroacetate
VTP-27999 (2,2,2-trifluoroacetate)
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