2-Adamantanecarbonyl-arg-phe-NH2 trifluoroacetate

Base Information

• Chemical Name: 2-Adamantanecarbonyl-arg-phe-NH2 trifluoroacetate
• CAS No.: 876310-60-0
• Molecular Formula: C26H38 N6 O3
• Molecular Weight: 482.62
• DSSTox Substance ID: DTXSID001151466
• Wikidata: Q27088538
• Pharos Ligand ID: FYFNANFPHFBQ
• ChEMBL ID: CHEMBL1672380
• Mol file: 876310-60-0.mol

Synonyms:876310-60-0;RF 9;RF9;1-Adamantanecarbonyl-RF-NH2;2-ADAMANTANECARBONYL-ARG-PHE-NH2 TRIFLUOROACETATE;CHEMBL1672380;RF9 trifluoroacetate salt;D08UWO;GTPL1486;SCHEMBL18041259;1-adamantanecarbonyl-Arg-Phe-NH2;CHEBI:140980;DTXSID001151466;BDBM50336912;AKOS024457741;CS-7903;NCGC00485847-01;AS-77961;PD045604;PD119376;HY-107382;D93586;Q27088538;N2-(Tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)-L-arginyl-L-phenylalaninamide;N(2)-(tricyclo[3.3.1.1(3,7)]decan-1-ylcarbonyl)-L-arginyl-L-phenylalaninamide;Adamantane-1-carboxylic acid [(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-4-guanidino-butyl]-amide

Chemical Property of 2-Adamantanecarbonyl-arg-phe-NH2 trifluoroacetate

Chemical Property:

• PKA: 14.53±0.20(Predicted)
• PSA: 200.49000
• Density: 1.42±0.1 g/cm3(Predicted)
• LogP: 4.32590
• Storage Temp.: Store at -20°C
• Solubility.: H2O: soluble20mg/mL
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 482.30053910
• Heavy Atom Count: 35
• Complexity: 777

Purity/Quality:

98.5% ^*data from raw suppliers

RF9 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC4=CC=CC=C4)C(=O)N
• Isomeric SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N
• Uses: RF9 is an NPFF1 and NPFF2 receptor inhibitor as well as RFRP-3 antagonist.