(1-Benzyl-1H-quinolin-4-ylidene)-pentyl-amine
Basic information
- CAS
185855-91-8- Standard SMILES
CCCCCN=c1ccn(Cc2ccccc2)c2ccccc12- InChIKey
MMGAVKCAGQCFHS-UHFFFAOYSA-N- Molecular formula
- C21H24N2
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.19394877
Overview
CP 339818 is an aminoquinoline.
Names & identifiers
- Preferred name
- (1-Benzyl-1H-quinolin-4-ylidene)-pentyl-amine
- IUPAC
- 1-benzyl-N-pentylquinolin-4-imine
- English name
- CP 339818 hydrochloride
- Molecular formula
- C21H24N2
- Molecular weight
- 304.43
Names & synonyms
CP-339818CHEMBL281622N-(1-Benzylquinolin-4(1H)-ylidene)pentan-1-amineCP 339818Tocris-13991-benzyl-N-pentylquinolin-4-imine(1-Benzyl-1H-quinolin-4-ylidene)-pentyl-amineC13847AC1LCVJBSureCN12648579GTPL2558orb1697700
Show more names
CP339818HClCP 339818 hydrochlorCP 339818 hydrochloride1-Pentanamine, N-[1-(phenylmethyl)-4(1H)-quinolinylidene]-N-[1-(PhenylMethyl)-4(1H)-quinolinylidene]-1 pentanaMine HClN-(1-Benzylquinolin-4(1H)-ylidene)pentan-1-aMine hydrochlorideN-[1-(phenylMethyl)-4(1H)-quinolinylidene]-1 pentanaMine hydroch(5Z)-N-(1-benzylquinolin-4(1H)-ylidene)pentan-1-amine hydrochlorideN-[1-(PHENYLMETHYL)-4(1H)-QUINOLINYLIDENE]-1 PENTANAMINE HYDROCHLORIDE
CHEMBL4303568SCHEMBL12648579CHEBI:346021-benzyl-N-pentyl-quinolin-4-imineBDBM50083523AKOS040751275NCGC00025144-01CP339818
Database identifiers
- CAS
185855-91-8- PubChem CID
- 656767
- ChEMBL
CHEMBL281622、CHEMBL4303568- ChEBI
CHEBI:34602- Nikkaji
- J797.665H
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 15.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 406
Physicochemical properties
- Boiling point
- 422.8 · 422.8±45.0 °C(Predicted)
- Density
- 1.01 · 1.01±0.1 g/cm3(Predicted)
- storage temp.
- Store at RT
- pka
- 12.11 · 12.11±0.70(Predicted)
Chemistry & industry
Applications
UsesCP-339818 is a non-peptide drug with potent Kv1.3 channel blocking activity. CP-339818 is able to effectively inhibit the activation of human T cells. By selectively blocking Kv1.3, CP-339818 is of great value in immune system research. The drug inhibits the C-type inactivated state of Kv1.3 channels in a use-dependent manner. CP-339818 has significantly weaker blocking effects on Kv1.1, Kv1.2, Kv1.5, Kv1.6, Kv3.1-4, and Kv4.2 channels, and only shows some inhibition on the Kv1.4 channel[1].
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Compound notes
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