CP 84364

HCID 664657

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Basic information

CAS: 114457-62-4
Standard SMILES: O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
InChIKey: UILPSDWDTZXIMK-LBPRGKRZSA-N
Molecular formula: C14H18N2O4
Average molar mass: 278.3 g/mol
Monoisotopic mass: 278.12665706

Overview

metabolite of CP-80794; structure in first source

Names & identifiers

Preferred name: CP 84364
IUPAC: (2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoic acid
English name: CP 84364
Molecular formula: C14H18N2O4
Molecular weight: 278.3

Names & synonyms

114457-62-4CP 84364CP-84364CP 84,364CP-84,864DTXSID20150738RefChem:128306DTXCID20732294-Cyclohexyl-2-hydroxy-3-(3-methylsulfanyl-2-(2-((morpholine-4-carbonyl)amino)-3-phenylpropionylamino)propionylamino)butyric acidN-(4-Morpholinylcarbonyl)-L-phenylalanine(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoic acidL-Phenylalanine, N-(4-morpholinylcarbonyl)-

Show more names

364CP 84

(Morpholine-4-carbonyl)-L-phenylalanineN-morpholinocarbonyl-L-phenylalanineN-(morpholinocarbonyl)-L-phenylalanineMorpholinecarbonylphenylalanineMLS000080995orb1697715SCHEMBL5193787CHEMBL1611487

Database identifiers

CAS: 114457-62-4
PubChem CID: 664657
DTXSID: DTXSID20150738
ChEMBL: CHEMBL1611487
Nikkaji: J887.969I

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 78.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 336

Chemistry & industry

Applications

DescriptionCP 84364 is a metabolite of CP-80794.

UsesHippeastrine hydrobromide is an active alkaloid that exhibits a good dose-dependent inhibitory effect on topoisomerase I (Top I) with an IC50 of 7.25 μg/mL. Hippeastrine hydrobromide exhibits antiproliferative and anticancer activities.